data_2k6m_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 2k6m _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.44 HG12 ' N ' ' S' ' 43' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.009 0.433 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 6.7 m-30 -96.22 143.97 27.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -45.75 114.81 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 113.166 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.4 pp -41.86 -36.34 1.03 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.931 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -56.33 -51.98 66.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.889 0.376 . . . . 0.0 110.548 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.449 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 1.1 m-20 -51.45 -44.56 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.189 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' S' ' 21' ' ' LEU . 0.1 OUTLIER -84.2 -13.13 53.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.518 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 12.2 tp -104.68 34.54 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 96.77 49.22 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.594 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.89 136.4 10.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 58.1 Cg_exo -30.68 80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.471 2.781 . . . . 0.0 113.071 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.59 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.2 pp -77.79 158.11 78.49 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.777 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 60.2 Cg_endo -80.24 -159.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.129 2.553 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -93.92 -40.81 9.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.455 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.41 -27.69 5.92 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.322 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.525 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 1.2 t -79.56 108.98 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.907 -0.647 . . . . 0.0 109.483 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.449 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.4 m-20 -89.02 123.96 66.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.32 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.58 -35.14 99.06 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.67 2.247 . . . . 0.0 113.511 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -77.18 -17.22 58.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.464 ' CB ' HD22 ' S' ' 36' ' ' LEU . 0.5 OUTLIER -141.99 88.61 2.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 111.303 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.627 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 3.7 mt -87.82 -51.25 5.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.671 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' S' ' 47' ' ' PHE . 0.9 OUTLIER -45.31 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 pp -75.17 -18.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.627 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -111.71 32.97 5.04 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.451 HD13 ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.06 122.42 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.924 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.44 ' N ' HG12 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -65.93 156.1 34.5 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.119 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' S' ' 48' ' ' GLU . 6.0 p-10 -34.67 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.288 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -68.04 -55.32 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' S' ' 43' ' ' THR . 47.8 t0 -66.45 -32.86 74.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.876 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.65 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.1 OUTLIER -70.13 -41.82 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.625 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' S' ' 44' ' ' ASP . 10.1 mt-10 -79.69 -25.13 41.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -85.19 -36.45 21.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.458 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.38 -22.2 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.476 HD23 ' CD ' ' S' ' 70' ' ' LYS . 10.0 mt -130.99 -10.75 3.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 63.12 13.33 6.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.65 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -130.66 -172.13 2.73 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -133.57 156.93 46.94 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.972 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -51.73 -26.84 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.44 -9.38 50.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.879 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -95.53 -55.91 2.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.51 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 3.0 m-30 -63.29 -29.42 70.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.496 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.7 m-20 -52.37 -28.1 18.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.294 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.96 -34.6 7.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.623 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 161.66 14.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.454 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 50.8 Cg_exo -51.48 166.74 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.264 1.976 . . . . 0.0 111.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.488 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.3 -45.37 9.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.42 -43.86 98.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.474 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.88 -42.33 97.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.27 -41.0 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.171 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.535 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.3 t30 -40.65 -42.49 1.73 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.02 -48.1 39.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.444 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.497 ' CE ' ' CE1' ' S' ' 76' ' ' PHE . 0.4 OUTLIER -48.56 -55.73 10.31 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 110.972 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -60.48 -29.9 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.89 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -25.23 20.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.84 3.12 34.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.731 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.422 ' CD1' ' HG ' ' S' ' 51' ' ' LEU . 21.6 mt -62.85 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.434 0.617 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.497 ' CE1' ' CE ' ' S' ' 70' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' S' ' 42' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.734 0.302 . . . . 0.0 111.289 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.415 ' CE2' ' HA3' ' S' ' 32' ' ' GLY . 5.9 m-30 -89.5 142.21 29.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.89 98.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.648 2.232 . . . . 0.0 112.744 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 0.9 OUTLIER -35.99 -37.48 0.11 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.577 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.73 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.214 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.494 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -56.13 -19.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.947 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' S' ' 29' ' ' LEU . 0.3 OUTLIER -115.32 -23.59 8.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 31.4 tp -57.14 -19.84 22.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 165.87 40.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.826 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.79 155.89 35.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 119.745 -0.169 . . . . 0.0 110.846 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -34.15 67.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.397 2.731 . . . . 0.0 112.918 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.826 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.5 OUTLIER -68.12 158.12 85.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.8 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' S' ' 29' ' ' LEU . 29.3 Cg_endo -60.67 -164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.509 2.806 . . . . 0.0 112.846 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -104.4 -40.16 6.18 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.415 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.5 -27.83 6.17 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.456 HG21 ' CE2' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -79.48 108.93 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.718 -0.741 . . . . 0.0 109.542 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 1.6 m-20 -88.87 125.65 61.94 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.93 -32.34 95.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.44 2.093 . . . . 0.0 113.215 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.474 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -76.7 -20.16 56.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.195 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' S' ' 37' ' ' LYS . 0.6 OUTLIER -138.77 91.81 2.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.081 0.467 . . . . 0.0 110.55 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.659 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 10.2 mt -87.7 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.108 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.06 -26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' S' ' 37' ' ' LYS . 2.2 pp -75.36 -31.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.659 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -91.25 21.62 4.3 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' S' ' 18' ' ' ILE . 0.2 OUTLIER -134.68 129.19 34.42 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.911 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.66 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.1 t -72.22 -169.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.014 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.441 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 14.7 p-10 -66.23 -34.8 78.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.68 -52.91 54.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.43 ' CB ' HD11 ' S' ' 18' ' ' ILE . 19.9 t0 -66.13 -38.66 88.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.66 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -60.85 -42.94 98.8 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.346 178.224 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' S' ' 44' ' ' ASP . 1.4 mt-10 -59.43 -49.04 79.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.943 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -14.22 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' S' ' 46' ' ' ASP . . . -100.18 -46.99 5.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' S' ' 70' ' ' LYS . 6.1 mt -120.5 -2.02 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 0.8 OUTLIER 62.09 13.42 5.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.447 0.165 . . . . 0.0 111.385 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.519 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 3.0 tpp -123.67 -159.15 0.84 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.442 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.61 152.16 51.84 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.73 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.459 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 31.3 ttm180 -57.56 -25.58 60.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.21 -9.47 45.18 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.47 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -93.05 -54.81 3.58 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.3 m-85 -61.86 -32.31 72.65 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.646 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.4 OUTLIER -54.36 -28.55 43.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.302 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.42 -30.55 8.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.604 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.4 OUTLIER -60.9 163.46 9.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.841 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.402 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.04 165.75 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.466 2.11 . . . . 0.0 112.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.21 -26.39 22.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 111.266 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.529 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.11 -44.8 9.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -62.13 -43.44 98.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.5 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.97 -39.62 90.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . . . . . . . . . 46.5 t -69.31 -39.98 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.047 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.529 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.4 t30 -40.43 -43.03 1.72 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.414 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 1.5 mm? -76.36 -47.81 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.085 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.503 ' CD ' ' CD1' ' S' ' 76' ' ' PHE . 35.0 mttt -50.3 -53.92 25.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.175 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -67.82 -26.61 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.84 -25.48 32.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.43 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -89.96 -25.05 21.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.0 -11.09 29.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.409 ' O ' HD11 ' S' ' 38' ' ' LEU . 16.1 mt -57.58 -83.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.121 0.46 . . . . 0.0 110.039 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' CD ' ' S' ' 70' ' ' LYS . 1.6 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.986 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 1.3 mp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.506 ' CE2' ' HA3' ' S' ' 32' ' ' GLY . 4.9 m-30 -92.44 139.42 23.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 10.0 Cg_endo -51.48 111.12 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.548 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.2 pp -42.8 -42.98 3.79 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.327 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.88 -56.88 14.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.203 0.525 . . . . 0.0 110.908 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.522 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.3 OUTLIER -48.5 -21.9 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.522 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.457 HD13 ' OH ' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -115.07 -28.93 6.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 2.0 tp -62.66 -17.24 60.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.847 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 176.83 43.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.089 0.471 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.672 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.35 143.31 16.38 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.672 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.0 Cg_exo -48.88 82.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.16 1.907 . . . . 0.0 111.646 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -80.11 157.95 72.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.998 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.462 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 41.2 Cg_endo -65.33 -162.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.734 2.289 . . . . 0.0 111.51 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.75 -18.56 16.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.34 -26.34 13.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.31 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.471 ' HB ' ' CE2' ' S' ' 41' ' ' TYR . 10.4 m -83.37 108.57 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.205 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' S' ' 35' ' ' PRO . 71.8 m-20 -78.04 110.05 12.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 9.9 Cg_endo -51.92 -21.19 11.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.716 2.277 . . . . 0.0 113.723 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -95.15 1.49 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' S' ' 37' ' ' LYS . 12.7 ptpt -158.39 84.79 0.85 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.166 0.507 . . . . 0.0 110.175 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.635 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 5.3 mt -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.837 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.418 ' O ' ' CZ ' ' S' ' 47' ' ' PHE . 22.2 pt-20 -44.14 -24.07 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.87 -33.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.635 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -90.48 25.61 2.22 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.99 122.21 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.779 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.88 -174.03 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.636 178.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.418 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.9 p-10 -62.11 -39.99 94.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.424 0.452 . . . . 0.0 110.707 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.54 -54.8 30.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 12.2 t0 -62.82 -34.35 77.11 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.779 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -63.5 -48.02 79.32 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.575 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.67 -40.03 82.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.546 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -92.34 -10.94 36.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' S' ' 46' ' ' ASP . . . -99.78 -39.32 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.566 HD22 ' N ' ' S' ' 70' ' ' LYS . 0.5 OUTLIER -136.95 4.3 2.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.18 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.83 13.33 4.36 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.432 -0.168 . . . . 0.0 111.24 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -128.29 -167.01 1.7 Allowed 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 54' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.3 170.91 14.76 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 23.4 ttt180 -69.47 -29.52 67.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -87.26 -9.67 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.868 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . 0.493 ' HB2' ' CG2' ' S' ' 54' ' ' THR . 1.3 tp10 -95.64 -59.89 1.77 Allowed 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.6 m-30 -56.71 -33.26 66.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.541 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -47.67 -28.32 2.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.48 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.0 -30.17 5.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 2.9 mt -60.86 162.3 12.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.829 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.41 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 52.7 Cg_exo -52.58 143.78 44.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.379 2.052 . . . . 0.0 112.024 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -72.46 -17.22 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.703 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.4 -44.04 9.9 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -60.75 -42.82 98.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.432 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 55.7 t -66.1 -39.69 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.554 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 53.5 t30 -42.18 -49.71 4.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.545 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.41 ' CB ' HD23 ' S' ' 51' ' ' LEU . 3.4 mm? -67.29 -38.18 84.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.068 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' S' ' 76' ' ' PHE . 0.2 OUTLIER -55.11 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -50.43 -28.58 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.02 55.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.46 -25.42 14.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 0.38 29.9 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.888 -0.673 . . . . 0.0 114.225 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.427 ' O ' HD11 ' S' ' 38' ' ' LEU . 21.2 mt -65.45 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.881 0.841 . . . . 0.0 109.84 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.604 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.637 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.468 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 2.2 mp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.8 0.334 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.507 ' CE2' ' HA3' ' S' ' 32' ' ' GLY . 6.8 m-30 -90.81 142.01 27.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.34 110.85 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.616 2.211 . . . . 0.0 112.842 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.5 pp -43.7 -38.93 3.37 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.62 84.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.908 0.385 . . . . 0.0 111.021 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.491 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 9.5 m-20 -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.916 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.56 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -84.33 -19.5 33.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.795 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 23.3 tp -83.18 -9.72 59.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 173.25 37.72 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.599 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.48 147.81 22.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.278 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.494 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 77.5 Cg_exo -49.77 75.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.821 2.347 . . . . 0.0 112.053 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -73.26 157.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.387 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.506 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 43.2 Cg_endo -66.28 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.946 2.431 . . . . 0.0 112.278 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.99 -11.75 18.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.872 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.74 -26.62 11.0 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.281 -1.437 . . . . 0.0 109.545 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' S' ' 41' ' ' TYR . 8.9 m -79.17 155.88 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 114.443 -0.878 . . . . 0.0 109.903 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.437 ' HA ' ' HD2' ' S' ' 35' ' ' PRO . 1.0 OUTLIER -125.17 102.83 30.37 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 1.0 OUTLIER -44.59 -42.01 14.38 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.903 2.402 . . . . 0.0 113.734 -178.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.442 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -65.41 -14.74 61.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.769 0.318 . . . . 0.0 111.396 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' S' ' 40' ' ' ILE . 10.1 pttt -160.48 96.07 1.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.703 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 6.5 mt -80.03 -53.14 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.468 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.1 OUTLIER -37.12 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.432 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.466 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.5 pp -58.64 -27.15 33.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.703 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 28.9 p90 -106.77 33.28 4.01 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.476 ' CD1' ' CD1' ' S' ' 47' ' ' PHE . 0.4 OUTLIER -138.59 115.96 11.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.103 178.463 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.753 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 4.1 t -59.76 -170.18 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.445 ' N ' ' OG1' ' S' ' 43' ' ' THR . 1.5 p30 -64.05 -38.33 90.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.769 0.428 . . . . 0.0 110.746 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.8 -53.61 37.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 18.2 t0 -64.47 -30.56 71.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.753 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -68.67 -47.12 67.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.638 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.15 -45.43 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.136 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -17.15 38.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' S' ' 46' ' ' ASP . . . -100.15 -44.78 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.571 HD22 ' N ' ' S' ' 70' ' ' LYS . 2.3 mt -123.03 -5.91 8.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' S' ' 47' ' ' PHE . 2.5 m-20 62.83 13.59 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.491 0.186 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -122.25 -162.67 1.01 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.514 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -133.43 159.21 41.03 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.656 0.265 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 27.5 ttm180 -63.45 -31.5 72.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 0.0 109.877 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.85 -8.59 54.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.628 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -92.48 -58.57 2.32 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 1.4 m-30 -60.28 -33.32 72.17 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.425 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.5 OUTLIER -50.27 -24.99 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.345 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.23 -34.73 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.284 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 161.45 15.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.61 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.408 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 71.4 Cg_exo -49.48 158.18 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.447 2.098 . . . . 0.0 112.208 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.415 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -87.97 -17.62 30.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.641 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.17 -44.82 9.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -45.3 94.71 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.79 -39.5 89.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.496 ' HA ' ' HE3' ' S' ' 70' ' ' LYS . 16.0 t -67.1 -40.99 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.53 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 55.1 t30 -43.97 -35.82 2.21 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.99 -48.73 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.817 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.571 ' N ' HD22 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -53.09 -49.66 65.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.502 -179.417 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.46 -27.9 68.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.383 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.97 -30.57 44.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.317 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -94.51 -25.26 16.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.1 -7.45 29.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.766 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.529 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 58.0 mt -51.61 -85.53 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 117.626 0.713 . . . . 0.0 109.966 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' HD2' ' S' ' 70' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.783 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' S' ' 42' ' ' LEU . 28.7 mm . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.48 ' CZ ' ' HA3' ' S' ' 32' ' ' GLY . 1.8 m-30 -89.73 130.28 43.62 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 8.3 Cg_endo -51.21 105.81 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.776 2.317 . . . . 0.0 112.778 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.437 ' HA ' ' CG ' ' S' ' 24' ' ' LEU . 0.8 OUTLIER -40.56 -37.35 0.7 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.091 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.75 95.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.774 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.533 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 5.3 m-20 -66.73 -34.97 79.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.872 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.516 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -89.1 -11.87 42.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' S' ' 25' ' ' LEU . 2.5 pp -109.25 11.89 25.15 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 176.42 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.587 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.88 154.29 34.37 Favored Pre-proline 0 N--CA 1.463 0.187 0 O-C-N 121.89 -0.506 . . . . 0.0 111.429 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.465 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 10.2 Cg_endo -50.86 76.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.047 2.498 . . . . 0.0 111.809 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.5 pt? -74.62 151.48 87.11 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.014 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 36.8 Cg_endo -63.44 -161.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.068 2.512 . . . . 0.0 111.927 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.75 -17.05 15.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.48 ' HA3' ' CZ ' ' S' ' 19' ' ' TYR . . . -50.53 -27.26 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 119.45 -1.357 . . . . 0.0 109.871 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.487 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 16.7 m -81.18 126.17 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 114.611 -0.794 . . . . 0.0 110.215 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' S' ' 35' ' ' PRO . 4.7 m-20 -95.3 103.76 13.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 6.2 Cg_exo -39.89 -44.17 3.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.052 2.502 . . . . 0.0 113.651 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -73.17 -20.98 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.082 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' S' ' 76' ' ' PHE . 1.7 ptmt -138.84 92.96 2.65 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.668 0.271 . . . . 0.0 110.771 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.765 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 7.8 mt -88.06 -50.33 6.47 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' S' ' 42' ' ' LEU . 0.0 OUTLIER -49.73 -19.9 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -72.03 -32.84 45.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.765 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 31.6 p90 -100.59 33.88 2.6 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.487 ' HA ' ' CG2' ' S' ' 18' ' ' ILE . 0.2 OUTLIER -137.99 123.56 19.7 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.08 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.555 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 8.1 p -67.1 -176.96 0.59 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.067 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.451 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 18.4 p-10 -60.98 -33.37 73.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.49 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.57 -51.26 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.1 -38.02 87.2 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.641 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.2 OUTLIER -62.03 -44.61 96.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.344 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' S' ' 44' ' ' ASP . 2.4 mt-10 -58.18 -46.68 85.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.678 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -14.75 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.16 -43.88 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.544 ' CD2' ' HG3' ' S' ' 70' ' ' LYS . 5.1 mt -125.53 -5.33 7.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' S' ' 47' ' ' PHE . 27.6 m-20 64.87 13.29 8.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.293 -0.163 . . . . 0.0 111.314 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.641 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.56 -159.05 0.85 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.489 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -133.65 153.67 51.5 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.415 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.6 OUTLIER -61.93 -25.62 67.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -90.81 -9.37 46.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.267 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -94.27 -54.37 3.58 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.488 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.6 m-30 -62.14 -32.57 73.18 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.931 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.0 m-20 -51.52 -25.82 7.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.25 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.01 -32.46 6.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.588 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.437 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.8 OUTLIER -60.76 168.49 2.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.802 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.44 160.68 6.55 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 112.063 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.464 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -88.17 -24.36 23.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.255 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -45.49 8.89 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.68 97.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.295 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.422 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.02 -40.52 98.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.568 ' HA ' ' HE3' ' S' ' 70' ' ' LYS . 74.9 t -67.7 -39.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.544 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 54.9 t30 -41.92 -42.12 2.67 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 110.736 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.406 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 2.7 mm? -72.84 -47.88 42.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.761 ' HD2' ' CD1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -49.54 -61.95 1.82 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -48.75 -40.75 29.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.41 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -90.19 -25.34 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 41.31 3.85 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.227 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.57 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 5.1 mt -108.4 -79.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.761 ' CD1' ' HD2' ' S' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.49 HG12 ' HB ' ' S' ' 43' ' ' THR . 4.2 mp . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.959 0.409 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.5 m-30 -99.5 156.97 34.8 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.505 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 5.7 Cg_endo -49.19 100.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.926 2.417 . . . . 0.0 112.87 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' S' ' 24' ' ' LEU . 2.3 pp -39.02 -33.93 0.14 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.47 73.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.548 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.3 OUTLIER -66.61 -28.87 68.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.509 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -89.17 -19.96 24.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.679 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 1.6 tp -72.19 -22.17 61.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 163.38 48.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.722 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 154.25 34.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 110.966 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.491 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.1 Cg_endo -43.56 71.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.248 2.632 . . . . 0.0 112.158 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.722 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.4 OUTLIER -71.05 150.2 94.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.655 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 11.8 Cg_endo -54.97 -164.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.372 2.715 . . . . 0.0 113.208 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' S' ' 33' ' ' VAL . 4.4 tp10 -96.97 -39.61 9.28 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.85 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.458 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -45.69 -28.74 2.68 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.555 HG12 ' CD2' ' S' ' 29' ' ' LEU . 0.9 OUTLIER -75.62 130.41 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 114.021 -1.09 . . . . 0.0 109.178 177.433 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 18.1 m-20 -97.39 139.43 21.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.379 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.73 -7.13 13.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.165 . . . . 0.0 113.963 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.497 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -115.02 10.67 16.29 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.753 -179.64 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.538 ' HG3' HG12 ' S' ' 40' ' ' ILE . 11.0 pttm -172.55 93.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.088 0.471 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.557 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 2.7 mt -87.45 -49.36 7.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.103 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' S' ' 47' ' ' PHE . 7.7 pt-20 -39.22 -27.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.538 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.3 pp -73.9 -36.59 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 0.5 OUTLIER -89.87 27.82 1.48 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.51 119.1 13.93 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.203 178.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.746 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.1 t -60.04 -166.99 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 23.5 p-10 -66.15 -39.45 89.81 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.795 0.438 . . . . 0.0 110.417 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.21 -54.69 25.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.418 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 21.5 t0 -62.83 -30.09 71.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.746 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.27 -48.82 63.99 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.446 178.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -56.31 -51.94 66.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.581 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -15.15 60.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.403 ' HB3' HD23 ' S' ' 75' ' ' LEU . . . -100.32 -61.42 1.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.456 HD11 HD13 ' S' ' 75' ' ' LEU . 3.0 mt -108.36 -10.7 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.875 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' S' ' 47' ' ' PHE . 11.5 m-20 70.08 13.42 7.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.603 0.24 . . . . 0.0 110.956 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.612 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -120.65 -160.35 0.83 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.548 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -133.48 154.53 50.74 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.0 ttp85 -61.99 -29.8 70.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -89.39 -8.78 52.41 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.97 -58.29 2.38 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 1.6 m-30 -60.94 -32.16 71.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.412 177.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -48.92 -27.35 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.602 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.33 -32.3 7.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.94 160.2 22.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.782 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 52.2 Cg_exo -53.59 139.51 66.54 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.312 2.008 . . . . 0.0 111.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -63.82 -17.51 63.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.012 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.23 -41.54 11.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.426 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -41.97 98.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.79 -39.5 94.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 78.6 t -66.82 -40.48 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.539 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.2 t30 -43.43 -52.65 5.9 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.415 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.3 -35.67 79.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.42 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.501 ' HE2' ' CG ' ' S' ' 76' ' ' PHE . 2.1 mmmm -53.54 -61.09 2.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.94 0.4 . . . . 0.0 110.672 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -64.97 -28.81 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.972 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.7 -34.61 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -25.34 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.674 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.82 5.47 41.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.173 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' S' ' 76' ' ' PHE . 2.0 mt -58.27 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.112 0.456 . . . . 0.0 110.307 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.501 ' CG ' ' HE2' ' S' ' 70' ' ' LYS . 1.4 m-85 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.209 -0.9 . . . . 0.0 112.244 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.878 0.371 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -89.85 142.16 28.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.438 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 11.9 Cg_endo -53.47 107.24 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.651 2.234 . . . . 0.0 112.755 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.1 pp -38.27 -45.66 1.0 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.403 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 -64.16 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.213 0.53 . . . . 0.0 111.034 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.447 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 0.6 OUTLIER -44.56 -20.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.86 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.585 ' HA ' ' HB3' ' S' ' 29' ' ' LEU . 0.1 OUTLIER -115.16 -22.56 9.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 0.4 OUTLIER -73.95 -8.02 54.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 172.01 40.76 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 111.211 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.645 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.62 140.37 13.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.447 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.645 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 90.9 Cg_exo -40.42 82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.554 2.17 . . . . 0.0 112.035 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.8 pp -78.14 159.07 76.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.245 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -90.45 -162.05 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.522 2.814 . . . . 0.0 112.892 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . 0.64 ' C ' ' H ' ' S' ' 33' ' ' VAL . 3.0 tt0 -82.31 -172.33 3.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.197 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.36 -1.58 1.45 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.64 ' H ' ' C ' ' S' ' 31' ' ' GLU . 0.9 OUTLIER -126.54 108.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.476 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 9.9 m-20 -109.72 121.57 41.75 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -54.15 -20.6 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.876 2.384 . . . . 0.0 113.505 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.8 22.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' S' ' 34' ' ' ASP . 17.0 ptpt -178.26 76.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.98 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.525 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.5 mt -87.5 -40.45 14.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.419 ' HA ' HD13 ' S' ' 42' ' ' LEU . 3.2 pt-20 -49.1 -22.21 0.89 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.39 -5.58 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.576 ' OH ' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -131.68 20.89 4.65 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.444 HD13 ' CE2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -129.02 132.06 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.532 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 5.9 t -74.27 -174.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.407 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.5 p30 -61.26 -33.16 73.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.39 -54.03 16.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -63.41 -29.39 70.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -71.98 -48.51 44.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.487 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.738 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -62.41 -50.44 71.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.34 -45.46 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.648 ' HG ' ' HG3' ' S' ' 70' ' ' LYS . 5.8 mp -89.75 -17.95 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' S' ' 47' ' ' PHE . 23.4 m-20 60.67 18.11 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 0.0 111.447 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.493 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 4.0 tpp -130.75 -158.42 0.89 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.432 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.36 153.65 51.41 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.41 ' HD2' ' CE2' ' S' ' 47' ' ' PHE . 5.8 tpt180 -57.25 -26.35 60.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -9.32 46.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.536 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.05 -53.26 3.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.46 ' CD2' HD21 ' S' ' 51' ' ' LEU . 2.6 m-30 -63.52 -30.78 71.85 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.84 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.0 m-20 -52.65 -29.19 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.302 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.88 -32.85 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.601 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.4 OUTLIER -60.96 158.93 30.57 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.96 142.27 53.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.446 2.097 . . . . 0.0 111.96 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.456 ' HA ' ' CD ' ' S' ' 66' ' ' GLN . . . -64.26 -17.84 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.946 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -89.19 -42.12 11.84 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' S' ' 68' ' ' ASN . 0.1 OUTLIER -63.84 -38.06 89.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.456 ' CD ' ' HA ' ' S' ' 63' ' ' ALA . 3.0 pt20 -64.0 -40.84 97.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' S' ' 71' ' ' LYS . 44.5 t -70.24 -35.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.55 ' HB3' ' O ' ' S' ' 65' ' ' LYS . 4.9 t-20 -42.86 -62.88 0.9 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.778 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.03 -31.4 69.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.585 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.648 ' HG3' ' HG ' ' S' ' 51' ' ' LEU . 2.4 mtmp? -66.67 -31.97 72.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.809 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.478 ' HG3' HG13 ' S' ' 67' ' ' VAL . 14.2 mttt -72.03 -33.93 68.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.351 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.55 -30.68 2.36 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.136 0.493 . . . . 0.0 110.291 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -110.84 -25.06 10.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.282 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.35 49.34 1.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.849 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.517 ' HA ' HD11 ' S' ' 38' ' ' LEU . 1.8 mt -103.9 -85.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.546 0.212 . . . . 0.0 111.409 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.615 ' H ' ' HB3' ' S' ' 70' ' ' LYS . 50.9 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.679 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.611 HD12 ' O ' ' S' ' 19' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.526 0.203 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.611 ' O ' HD12 ' S' ' 18' ' ' ILE . 3.8 m-30 -89.88 131.75 38.46 Favored Pre-proline 0 CA--C 1.531 0.23 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -37.86 110.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.359 2.706 . . . . 0.0 113.354 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.6 pp -42.67 -29.41 0.3 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.778 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.04 -46.26 82.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.051 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.456 ' HB3' ' HA ' ' S' ' 29' ' ' LEU . 1.1 m-20 -53.15 -41.24 64.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.006 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.539 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -87.6 -9.54 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.629 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 10.8 tp -111.77 38.07 2.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 97.27 47.02 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.636 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.91 136.4 10.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.68 178.451 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.636 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 57.2 Cg_exo -32.36 82.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 123.262 2.642 . . . . 0.0 113.2 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.5 pp -78.48 158.09 76.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.01 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 69.4 Cg_endo -78.29 -159.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.105 2.537 . . . . 0.0 112.141 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -94.58 -40.26 9.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.619 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.61 -25.03 6.22 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.511 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.621 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -84.59 112.54 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 114.93 -0.635 . . . . 0.0 110.054 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.3 m-20 -96.52 122.04 58.38 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.49 -27.14 57.69 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.811 2.34 . . . . 0.0 113.485 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -80.92 -9.5 59.82 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.501 ' CG ' HD22 ' S' ' 36' ' ' LEU . 6.3 pttt -157.05 88.87 1.04 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.752 0.311 . . . . 0.0 111.557 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.681 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.85 -38.85 15.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.712 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.451 ' O ' ' CZ ' ' S' ' 47' ' ' PHE . 3.0 pm0 -54.17 -20.06 6.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.411 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.0 pp -83.48 -25.45 7.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.681 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 0.4 OUTLIER -104.5 30.05 5.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.484 ' HA ' HG12 ' S' ' 18' ' ' ILE . 0.3 OUTLIER -135.8 117.14 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.103 179.079 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.69 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.1 p -59.68 -177.95 0.06 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -58.54 -35.48 72.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.933 0.493 . . . . 0.0 111.204 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.22 -54.56 23.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.87 -34.68 78.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.69 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -64.94 -47.2 78.51 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.569 178.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 2.3 mt-10 -59.1 -50.96 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -16.0 58.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.32 -61.57 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' S' ' 75' ' ' LEU . 3.7 mt -107.06 -2.95 20.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 7.9 m-20 64.21 13.47 7.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.317 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.647 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -123.18 -163.01 1.07 Allowed 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.38 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 54' ' ' THR . . . . . 0.422 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 30.2 p -133.61 158.24 43.7 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.079 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 11.3 ttt-85 -62.53 -29.61 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.11 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.07 -8.9 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 0.9 OUTLIER -95.07 -58.8 2.05 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.508 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.2 m-30 -59.12 -29.87 67.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.101 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -51.43 -26.9 8.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.212 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.63 -32.63 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.478 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 3.0 mt -60.77 149.55 79.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 2.9 Cg_endo -42.38 127.95 4.41 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 123.211 2.607 . . . . 0.0 112.171 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.422 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -63.87 -15.69 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.159 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.31 -43.09 10.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.35 -44.3 97.41 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.466 HG21 ' CZ ' ' S' ' 76' ' ' PHE . 40.5 t -60.27 -42.91 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.539 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 50.0 t30 -46.03 -32.81 3.01 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.142 0.496 . . . . 0.0 110.441 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.79 -43.66 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.091 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.486 ' HB2' ' CD1' ' S' ' 76' ' ' PHE . 23.3 mttt -56.36 -51.77 67.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.669 0.271 . . . . 0.0 110.591 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -70.36 -30.54 67.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.768 0.318 . . . . 0.0 110.786 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.29 -31.43 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -116.81 17.15 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.92 13.87 57.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.961 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.451 HD11 ' HA ' ' S' ' 70' ' ' LYS . 12.5 mt -53.91 -92.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.685 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.047 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.425 HG12 ' CA ' ' S' ' 42' ' ' LEU . 2.8 tp . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.724 0.297 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 7.2 m-30 -89.8 125.65 60.25 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.425 ' O ' ' CD2' ' S' ' 24' ' ' LEU . 1.9 Cg_endo -43.57 133.98 7.21 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.357 2.704 . . . . 0.0 113.622 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.2 pp -49.62 -41.98 43.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.116 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.82 -45.09 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.142 0.496 . . . . 0.0 109.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.672 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -46.44 -26.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.17 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' S' ' 21' ' ' LEU . 0.1 OUTLIER -113.81 -28.66 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.516 -179.335 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 17.6 tp -72.7 47.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 94.85 46.8 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.167 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.701 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.84 138.68 12.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.229 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.701 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.0 Cg_exo -34.52 79.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.895 2.397 . . . . 0.0 112.678 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.661 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -75.59 158.16 83.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 71.6 Cg_endo -78.31 -158.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.268 2.645 . . . . 0.0 112.026 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.3 -42.08 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.779 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.455 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.06 -24.21 6.37 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.564 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.524 HG21 ' CE1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -87.15 107.97 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.087 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.442 ' N ' ' CE2' ' S' ' 41' ' ' TYR . 13.9 m-20 -94.76 118.29 66.81 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.37 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.33 -21.61 61.51 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.581 2.187 . . . . 0.0 113.52 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.453 ' N ' HD21 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.78 -11.4 60.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.603 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.442 ' O ' HG12 ' S' ' 40' ' ' ILE . 7.6 ptpt -174.25 113.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.818 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.4 mp -88.11 -40.19 13.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.423 ' O ' ' CZ ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -41.83 -28.07 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.438 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.442 HG12 ' O ' ' S' ' 37' ' ' LYS . 50.4 pt -71.22 -33.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.818 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 6.0 p90 -105.52 43.04 1.16 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.64 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.442 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.506 ' O ' ' N ' ' S' ' 46' ' ' ASP . 12.8 t -65.18 156.72 30.85 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' S' ' 48' ' ' GLU . 5.0 p-10 -33.29 -35.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.262 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.31 -51.65 42.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' S' ' 43' ' ' THR . 58.5 t0 -68.71 -34.06 74.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.043 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.663 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.1 OUTLIER -69.77 -39.8 76.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.033 179.198 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' S' ' 44' ' ' ASP . 1.6 mt-10 -79.66 -28.97 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.297 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -90.29 -31.47 16.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.464 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 -21.43 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.489 HD23 ' CG ' ' S' ' 70' ' ' LYS . 9.4 mt -135.47 -5.24 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 1.4 m-20 61.28 13.28 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.346 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.663 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 2.9 tpp -131.52 -166.26 1.69 Allowed 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -133.55 162.17 32.63 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 17.8 ttt180 -61.65 -25.94 67.69 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.03 -9.05 50.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.13 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.09 -56.2 2.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.463 ' CE1' ' HG2' ' S' ' 53' ' ' MET . 2.7 m-30 -62.93 -29.84 71.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.203 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -51.49 -29.95 18.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.28 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.61 -34.07 7.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.638 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.78 160.36 20.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -44.06 157.78 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.066 2.51 . . . . 0.0 112.14 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -88.06 -26.6 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.04 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.512 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.49 -45.95 8.63 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.86 -40.95 94.84 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.333 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.98 -44.02 97.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' S' ' 66' ' ' GLN . 88.8 t -65.03 -40.22 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.512 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 61.1 t30 -41.84 -45.83 3.77 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -79.1 -30.2 43.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.489 ' CG ' HD23 ' S' ' 51' ' ' LEU . 59.0 mttt -56.53 -50.99 70.22 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -61.91 -42.71 99.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.99 -35.24 6.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.733 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -20.18 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.37 16.36 9.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.05 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -107.74 -69.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.224 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.432 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.433 HG12 ' HA ' ' S' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.848 0.356 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.485 ' CE2' ' HA3' ' S' ' 32' ' ' GLY . 7.2 m-30 -89.91 136.77 28.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.91 109.34 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.883 2.389 . . . . 0.0 112.698 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.0 OUTLIER -45.46 -35.6 3.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.961 -179.794 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -51.18 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.588 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -55.13 -18.92 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.981 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.715 ' HA ' ' HB3' ' S' ' 29' ' ' LEU . 0.4 OUTLIER -115.64 -25.58 7.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.854 -178.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 38.3 tp -53.95 -18.49 3.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.087 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 167.16 41.4 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.69 155.76 35.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 122.38 -0.2 . . . . 0.0 110.86 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -39.21 69.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.691 2.927 . . . . 0.0 112.986 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.747 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.4 pp -69.06 158.07 87.51 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.085 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 45.5 Cg_endo -65.59 -163.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.374 2.716 . . . . 0.0 113.089 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.98 -39.21 9.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.485 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.28 -27.02 7.2 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.076 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' S' ' 33' ' ' VAL . 1.2 t -79.14 110.3 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.436 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.422 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 66.5 m-20 -94.72 134.36 25.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.401 ' HA ' HD22 ' S' ' 38' ' ' LEU . 40.3 Cg_endo -67.48 -40.9 9.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.512 2.141 . . . . 0.0 113.556 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.428 ' N ' HD21 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -71.07 -9.47 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.704 0.288 . . . . 0.0 111.714 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.472 ' HB2' ' CD1' ' S' ' 40' ' ' ILE . 0.6 OUTLIER -145.43 87.94 1.83 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.6 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 2.5 mt -87.31 -56.86 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.739 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.542 ' HB3' ' HE3' ' S' ' 70' ' ' LYS . 7.2 pt-20 -50.18 -23.94 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 0.0 110.854 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' S' ' 37' ' ' LYS . 1.9 mp -62.29 -39.12 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.305 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.6 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -93.8 29.48 2.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.601 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.538 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -138.21 116.24 11.68 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.461 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.708 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.3 t -59.96 -166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.434 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -67.1 -39.18 86.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.684 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -63.69 -53.19 55.2 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -64.89 -34.42 78.36 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.708 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -63.49 -45.88 88.7 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.283 178.036 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.91 -44.78 82.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.752 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -13.79 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.02 -45.27 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.838 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' S' ' 70' ' ' LYS . 3.5 mt -127.85 -1.69 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' S' ' 47' ' ' PHE . 13.7 m-20 60.34 13.95 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.568 0.223 . . . . 0.0 111.205 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.596 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.68 -162.0 0.87 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.648 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 54' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.74 147.23 51.31 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.861 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -56.72 -29.26 62.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 0.0 110.019 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.02 -8.92 56.68 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.777 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 49.4 tt0 -94.22 -62.76 1.28 Allowed 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.452 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.1 m-30 -56.14 -30.59 62.37 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.051 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.57 -24.1 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.423 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.25 -33.43 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.687 0.28 . . . . 0.0 111.525 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.77 160.54 19.24 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.436 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 77.4 Cg_exo -49.2 159.55 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.381 2.054 . . . . 0.0 111.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -87.67 -18.41 29.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.13 -43.48 10.43 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.577 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.436 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -61.6 -43.81 98.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 3.9 pt20 -62.45 -37.83 87.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 24.2 t -67.12 -40.92 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.544 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.4 t30 -47.2 -49.9 21.98 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.303 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.41 ' HB3' ' CD2' ' S' ' 51' ' ' LEU . 5.4 tp -70.98 -42.49 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.471 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.542 ' HE3' ' HB3' ' S' ' 39' ' ' GLU . 1.1 mtmp? -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -65.36 -32.49 74.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.068 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.78 84.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -22.42 22.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.59 -10.25 28.14 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.568 -0.825 . . . . 0.0 114.108 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.417 ' O ' HD12 ' S' ' 38' ' ' LEU . 19.8 mt -56.11 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 118.007 0.904 . . . . 0.0 109.412 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.535 ' CD2' ' HD2' ' S' ' 70' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.368 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.437 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.457 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 4.9 m-30 -90.63 139.63 26.45 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.423 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.7 Cg_endo -51.84 103.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.793 2.329 . . . . 0.0 112.779 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.0 OUTLIER -40.26 -38.67 0.82 Allowed 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.216 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.36 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.04 0.448 . . . . 0.0 111.447 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -61.92 -17.51 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.829 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.67 ' HA ' ' HB3' ' S' ' 29' ' ' LEU . 0.2 OUTLIER -114.4 -18.99 11.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.622 -178.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 33.7 tp -72.84 -9.79 59.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.04 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 170.42 36.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.696 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.82 154.59 34.89 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.232 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.506 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.0 Cg_endo -43.49 71.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.435 2.757 . . . . 0.0 112.525 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' S' ' 27' ' ' ARG . 3.0 pp -69.99 159.0 85.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.974 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' S' ' 29' ' ' LEU . 51.8 Cg_endo -65.84 -163.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.487 2.791 . . . . 0.0 113.124 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -100.37 -36.41 9.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.014 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.415 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.99 -26.96 6.28 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 119.618 -1.277 . . . . 0.0 109.98 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.447 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 1.2 t -79.09 110.38 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.376 -0.912 . . . . 0.0 109.376 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.465 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 53.8 m-20 -91.39 122.99 65.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.521 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.47 -28.29 70.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.778 2.319 . . . . 0.0 113.463 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -85.33 5.16 31.82 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.478 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -167.35 90.73 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.174 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.559 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 2.0 mt -87.64 -59.37 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.47 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.4 OUTLIER -41.07 -27.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.478 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -67.26 -32.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.559 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -96.19 28.85 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.13 121.96 17.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.505 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 7.6 t -63.52 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.986 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.433 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 10.0 p-10 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.884 0.473 . . . . 0.0 110.357 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -64.55 -52.54 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -65.46 -33.15 75.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.664 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -65.65 -45.61 82.32 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.96 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.42 -48.8 71.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.69 -11.15 59.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.739 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.18 -61.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.781 0.324 . . . . 0.0 111.717 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' S' ' 70' ' ' LYS . 2.9 mt -117.08 2.01 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.35 14.04 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.468 0.175 . . . . 0.0 111.457 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.643 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -117.98 -160.52 0.79 Allowed 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.68 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 54' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.8 OUTLIER -133.82 153.7 51.54 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.69 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.079 0.466 . . . . 0.0 109.986 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.97 -9.09 54.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.742 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 4.8 tt0 -94.57 -59.73 1.87 Allowed 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.7 m-30 -58.91 -29.77 67.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.869 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.27 -29.89 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.543 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.62 -29.63 7.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.66 154.81 54.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.744 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.492 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 74.6 Cg_exo -47.26 147.87 5.31 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 111.815 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -74.35 -18.33 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.995 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.51 -46.2 8.47 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.47 -41.45 97.26 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 3.7 pt20 -63.19 -41.08 99.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.436 ' HA ' ' HB2' ' S' ' 70' ' ' LYS . 48.0 t -68.12 -39.21 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.181 177.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.526 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.7 t30 -41.68 -53.57 3.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.7 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.54 -19.43 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.336 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.636 ' HB3' ' C ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -69.2 -49.23 58.43 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.139 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.42 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 31.6 mtmt -62.28 -45.5 92.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.768 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.08 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.678 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.92 -18.0 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.242 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.19 -8.83 29.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.975 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.7 OUTLIER -85.37 -69.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.636 ' C ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' S' ' 42' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.568 0.223 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.566 ' O ' HD12 ' S' ' 18' ' ' ILE . 4.9 m-30 -89.7 130.02 44.63 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -38.75 112.75 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.249 2.633 . . . . 0.0 113.202 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -39.6 -34.35 0.23 Allowed 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.838 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -61.69 -47.72 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.002 0.429 . . . . 0.0 110.169 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' S' ' 29' ' ' LEU . 0.7 OUTLIER -51.78 -42.47 62.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.13 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' S' ' 21' ' ' LEU . 0.1 OUTLIER -86.78 -22.45 25.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.469 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 0.2 OUTLIER -98.5 43.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.347 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 93.05 50.57 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.58 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.99 132.94 8.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 178.089 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 48.8 Cg_exo -34.53 83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.141 2.561 . . . . 0.0 112.974 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.619 ' HB3' ' HB3' ' S' ' 23' ' ' ASP . 0.4 OUTLIER -90.77 157.65 43.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.373 -178.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.474 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 72.6 Cg_endo -72.97 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.907 2.404 . . . . 0.0 111.016 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.5 -16.51 17.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.653 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.539 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -53.36 -23.49 18.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.4 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.616 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 12.1 m -86.13 108.93 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 115.456 -0.372 . . . . 0.0 110.719 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.43 ' HA ' ' HD2' ' S' ' 35' ' ' PRO . 5.9 m-20 -81.54 107.52 8.33 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.457 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 10.0 Cg_endo -52.19 -26.97 28.21 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.606 2.204 . . . . 0.0 113.456 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.435 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.15 -12.39 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.63 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' S' ' 36' ' ' LEU . 4.3 ptpp? -171.99 104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 109.734 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.614 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 5.9 mt -88.06 -46.61 9.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' S' ' 70' ' ' LYS . 0.0 OUTLIER -39.7 -27.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.412 HG12 ' O ' ' S' ' 37' ' ' LYS . 45.5 pt -67.25 -29.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.616 ' CD2' ' HA ' ' S' ' 33' ' ' VAL . 2.6 p90 -103.85 30.65 4.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.572 ' HA ' HG12 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -134.27 115.55 14.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.739 178.397 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.8 p -60.52 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.314 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.457 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 4.6 p-10 -62.7 -32.9 74.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.3 -50.45 60.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -67.61 -34.03 76.18 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.56 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.3 OUTLIER -66.63 -43.38 84.87 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.118 178.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.13 -39.58 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.921 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -22.15 18.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' S' ' 73' ' ' LYS . . . -100.12 -14.12 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' S' ' 58' ' ' TYR . 11.6 mt -149.76 -6.86 0.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.55 13.33 7.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 5.6 tpp -126.73 -159.17 0.91 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.563 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.1 p -133.57 156.7 47.35 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 4.8 ttm180 -60.93 -27.12 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.86 -9.24 54.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.13 -57.02 2.54 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.504 ' CE2' HD13 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.58 -26.04 67.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.111 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.1 OUTLIER -53.85 -31.2 48.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.379 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.24 -26.84 7.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.58 156.1 45.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.658 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.408 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 3.6 Cg_exo -40.27 159.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.251 2.634 . . . . 0.0 112.203 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.449 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -88.22 -26.36 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.896 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.49 -45.32 9.03 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -41.36 97.27 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.464 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.4 pt20 -62.93 -41.47 99.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 53.1 t -67.06 -41.03 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.153 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.547 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.2 t30 -41.34 -49.37 3.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.131 0.491 . . . . 0.0 111.227 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.492 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 4.6 mm? -72.3 -34.21 67.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.421 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.791 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.2 mtpt -63.22 -53.52 51.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.59 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.433 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 24.5 mttt -57.43 -34.76 69.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.269 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' S' ' 50' ' ' ALA . 0.0 OUTLIER -107.22 -18.67 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.638 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.25 35.01 2.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.122 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -139.22 -68.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 109.996 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.791 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.207 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.509 HG13 ' CG2' ' S' ' 43' ' ' THR . 30.3 mm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 121.073 0.463 . . . . 0.0 111.766 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.435 ' N ' ' HD1' ' S' ' 19' ' ' TYR . 2.6 m-30 -90.09 148.04 38.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.424 ' O ' HD21 ' S' ' 24' ' ' LEU . 10.2 Cg_endo -53.41 110.24 0.46 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.26 -178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -41.21 -41.64 1.89 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.14 85.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 110.271 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.77 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 10.1 m-20 -60.25 -43.05 96.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.084 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.607 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -83.73 -16.1 46.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.551 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 17.5 tp -85.21 -9.29 57.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 161.58 43.21 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.77 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.9 143.89 16.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.697 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.686 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.6 Cg_exo -41.22 79.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.473 2.115 . . . . 0.0 112.047 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -75.94 159.15 81.44 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.9 -179.181 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.1 -153.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.239 2.626 . . . . 0.0 112.805 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -44.92 5.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.093 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.422 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -47.68 -28.15 5.01 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.841 -1.171 . . . . 0.0 110.222 178.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.545 HG22 ' CE1' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -79.14 108.8 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 114.594 -0.803 . . . . 0.0 109.428 178.137 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.431 ' HB3' HD12 ' S' ' 36' ' ' LEU . 3.1 m-20 -76.95 133.38 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -74.94 -0.32 9.8 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.517 2.144 . . . . 0.0 113.494 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -130.31 13.9 5.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.412 ' HG2' ' CB ' ' S' ' 34' ' ' ASP . 22.1 pttt -167.96 86.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.052 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.705 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -87.52 -39.84 14.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.622 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.435 ' HB2' ' CZ ' ' S' ' 47' ' ' PHE . 2.1 pt-20 -45.14 -25.71 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.612 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -79.61 -21.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 7.7 p90 -115.86 33.47 5.48 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.0 115.86 11.52 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.774 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.509 ' CG2' HG13 ' S' ' 18' ' ' ILE . 0.7 OUTLIER -60.04 157.95 11.95 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.67 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' S' ' 48' ' ' GLU . 1.9 p30 -37.59 -32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.47 0.708 . . . . 0.0 112.082 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.64 -52.91 18.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' S' ' 43' ' ' THR . 15.1 t0 -68.01 -27.03 66.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.793 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.603 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.1 OUTLIER -75.22 -43.62 50.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.205 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' S' ' 44' ' ' ASP . 3.4 mt-10 -69.92 -45.69 66.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.712 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -20.33 57.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.35 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.418 HD22 ' N ' ' S' ' 70' ' ' LYS . 4.9 mt -101.11 -6.83 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 18.5 m-20 65.95 13.34 9.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.603 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -133.02 -177.89 4.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.04 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 54' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' S' ' 57' ' ' GLU . 2.7 t -132.64 162.38 31.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.492 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.1 OUTLIER -55.49 -24.2 30.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.12 -9.19 43.44 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.736 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' S' ' 54' ' ' THR . 0.0 OUTLIER -95.54 -54.33 3.41 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.688 0.756 . . . . 0.0 109.108 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.43 ' HA ' ' HB2' ' S' ' 61' ' ' LEU . 1.2 m-30 -66.82 -34.35 77.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.022 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -41.02 -32.21 0.23 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.92 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.68 -33.9 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.4 OUTLIER -60.78 140.14 93.26 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.84 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -37.21 136.95 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.128 2.552 . . . . 0.0 112.537 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.412 ' O ' HG21 ' S' ' 67' ' ' VAL . . . -62.03 -17.48 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.097 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.09 -40.54 12.21 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.591 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -44.61 96.34 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.523 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.423 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.4 pt20 -60.48 -42.16 95.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.493 ' CG2' ' CZ ' ' S' ' 76' ' ' PHE . 2.6 t -64.13 -41.09 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.533 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.8 t30 -42.92 -40.65 3.04 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.57 -50.2 10.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.787 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' CD1' ' S' ' 76' ' ' PHE . 11.4 mttt -50.28 -59.85 3.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.429 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -68.21 -30.71 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -179.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' S' ' 68' ' ' ASN . . . -59.26 -32.88 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.967 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.95 5.0 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.265 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.15 66.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.336 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.35 -87.44 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.257 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' S' ' 19' ' ' TYR . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.52 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 3.0 m-30 -89.44 138.23 28.59 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.18 112.94 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.957 2.438 . . . . 0.0 113.145 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -42.28 -41.96 2.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.363 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.45 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.893 0.378 . . . . 0.0 111.399 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.536 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -61.75 -36.02 79.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.163 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.58 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -88.2 -19.5 26.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.11 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 tp -84.0 -6.16 59.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 174.22 33.7 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.64 150.66 28.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.398 179.116 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.488 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 9.4 Cg_endo -51.77 78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.872 2.381 . . . . 0.0 111.831 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -75.58 158.95 82.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.197 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.52 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.7 Cg_endo -60.4 -161.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.873 2.382 . . . . 0.0 111.47 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -101.22 -14.36 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.42 -23.17 12.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.105 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' S' ' 41' ' ' TYR . 31.0 m -89.32 127.94 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.927 -0.636 . . . . 0.0 110.779 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.44 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -99.54 108.37 50.35 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 1.3 Cg_endo -43.89 -36.17 7.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.714 2.276 . . . . 0.0 113.36 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -73.05 -8.82 57.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' S' ' 37' ' ' LYS . 0.4 OUTLIER -157.53 101.54 1.85 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.993 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.748 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 10.2 mt -87.84 -55.4 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.885 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.641 ' H ' ' HE3' ' S' ' 70' ' ' LYS . 18.4 pt-20 -38.95 -28.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.06 -33.11 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.748 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 34.6 p90 -103.61 36.44 2.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.6 126.32 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.715 178.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.704 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -61.04 -172.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.076 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.6 p30 -64.58 -36.82 85.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.58 -52.87 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 21.0 t0 -63.73 -28.92 70.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -69.49 -49.91 50.3 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.202 178.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.72 -41.3 86.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.873 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -82.88 -11.13 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.402 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.68 -61.17 1.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.819 0.342 . . . . 0.0 111.448 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.51 HD21 ' HD2' ' S' ' 70' ' ' LYS . 4.7 mp -124.05 0.09 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 69.12 13.23 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.736 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.53 ' HG2' ' CD1' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -115.02 -159.81 0.72 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.608 179.346 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.6 p -133.07 173.7 11.14 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.975 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.2 ttt180 -76.75 -32.94 58.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.036 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -89.05 -8.55 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.818 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.88 -55.8 3.1 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 1.3 m-30 -63.4 -30.29 71.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.301 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.5 OUTLIER -53.87 -26.68 25.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.263 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.73 -32.57 5.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 111.355 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 19.0 mt -60.75 161.72 14.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 1.1 Cg_endo -45.99 151.49 1.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.02 2.48 . . . . 0.0 112.269 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -85.59 -18.15 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.89 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.51 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.25 -42.24 11.11 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.43 -44.94 96.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.415 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.14 -35.69 81.12 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.491 HG21 ' CZ ' ' S' ' 76' ' ' PHE . 6.2 t -66.35 -42.12 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.51 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 39.2 t30 -46.43 -32.52 3.32 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.441 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.429 ' CB ' HD23 ' S' ' 51' ' ' LEU . 2.8 mm? -83.71 -46.82 11.85 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.641 ' HE3' ' H ' ' S' ' 39' ' ' GLU . 0.1 OUTLIER -58.65 -53.57 56.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -60.39 -40.14 89.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.29 81.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -89.8 -25.21 21.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.685 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.87 1.32 30.36 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.385 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.62 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 117.308 0.554 . . . . 0.0 109.904 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.607 ' H ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.375 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.404 HG12 ' O ' ' S' ' 41' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.51 0.195 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.541 ' CD2' ' CG ' ' S' ' 30' ' ' PRO . 7.7 m-30 -89.71 124.93 62.73 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.415 ' O ' HD23 ' S' ' 24' ' ' LEU . 1.2 Cg_endo -45.06 137.94 9.44 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.266 2.644 . . . . 0.0 113.614 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -48.78 -47.03 42.3 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.749 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.66 73.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.043 0.449 . . . . 0.0 110.864 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.821 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -47.58 -23.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.331 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -115.36 -28.95 6.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.011 0.434 . . . . 0.0 111.512 -179.331 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 18.8 tp -70.42 -26.29 63.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 167.02 45.8 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.821 ' HD2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 140.16 13.68 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 119.605 -0.236 . . . . 0.0 110.408 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.625 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 88.5 Cg_exo -19.53 78.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.887 3.058 . . . . 0.0 113.272 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.1 pp -73.19 148.75 88.97 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.694 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.541 ' CG ' ' CD2' ' S' ' 19' ' ' TYR . 39.0 Cg_endo -85.52 -158.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.627 2.885 . . . . 0.0 112.261 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.36 -37.02 10.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.64 -22.93 12.54 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 119.526 -1.321 . . . . 0.0 110.19 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.505 HG23 ' CE1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -86.97 108.3 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.292 178.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.429 ' HB3' HD11 ' S' ' 36' ' ' LEU . 16.1 m-20 -92.53 121.26 66.61 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.334 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.423 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 28.6 Cg_endo -62.87 -20.91 72.55 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.641 2.227 . . . . 0.0 114.319 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.51 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -63.17 -15.68 57.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.534 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.51 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -176.85 121.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.795 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.8 mp -87.71 -41.22 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.535 ' HB3' ' HD2' ' S' ' 70' ' ' LYS . 0.9 OUTLIER -39.91 -27.95 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.485 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.6 pt -67.54 -30.8 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.795 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 3.9 p90 -111.45 41.13 1.94 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -138.85 115.85 10.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.294 177.62 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 13.3 p -60.25 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.181 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.418 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.3 p-10 -64.25 -36.56 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.42 -47.88 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 21.5 t0 -66.49 -31.88 72.88 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.574 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.4 OUTLIER -69.24 -46.43 67.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.746 177.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.4 -37.39 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.02 -25.68 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -51.55 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.553 HD21 ' N ' ' S' ' 70' ' ' LYS . 1.4 mp -141.51 8.99 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 64.59 14.8 9.25 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.574 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -113.45 -161.35 0.76 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.94 152.22 51.77 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.512 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 6.9 tpt180 -58.63 -24.41 61.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.704 -0.398 . . . . 0.0 109.984 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.31 -9.49 50.31 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.352 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -95.18 -55.82 2.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.485 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.27 -29.16 69.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.005 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.9 m-20 -55.23 -24.0 25.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.163 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.78 -31.34 6.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.617 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.5 OUTLIER -60.76 167.01 3.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.427 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 50.9 Cg_exo -52.69 162.6 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.394 2.063 . . . . 0.0 111.924 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.44 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -87.56 -24.42 24.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.517 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -43.51 10.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.75 -40.77 93.68 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.543 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.484 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.81 -44.87 95.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.46 ' HA ' ' HB2' ' S' ' 70' ' ' LYS . 74.6 t -63.73 -38.33 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.547 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -41.79 -56.84 2.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.879 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -72.42 -21.11 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.389 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.856 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -66.96 -54.74 18.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 110.204 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.421 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 6.4 mttt -59.28 -33.22 70.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.268 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.91 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.514 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -14.47 34.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.43 -10.99 28.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.625 -0.797 . . . . 0.0 113.586 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -81.26 -71.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.856 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.213 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 10.3 m-85 -97.58 136.64 21.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.865 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.4 Cg_endo -48.1 119.26 3.78 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.845 2.364 . . . . 0.0 112.549 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 0.9 OUTLIER -46.83 -41.01 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.113 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.23 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.303 0.573 . . . . 0.0 110.813 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.4 OUTLIER -49.2 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.38 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.657 HD12 ' CE1' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -115.09 -25.12 8.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.861 0.363 . . . . 0.0 111.729 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 18.5 tp -68.34 -9.5 48.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 170.12 42.2 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.881 0.372 . . . . 0.0 111.269 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.713 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.7 tmt_? -150.63 143.45 16.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.713 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 91.7 Cg_exo -42.13 83.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.425 2.083 . . . . 0.0 112.04 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' S' ' 27' ' ' ARG . 3.1 pp -79.43 155.76 76.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.589 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 65.8 Cg_endo -69.23 -162.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.773 2.982 . . . . 0.0 113.262 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -97.36 -37.79 9.89 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.456 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.76 -28.08 5.09 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' S' ' 33' ' ' VAL . 1.0 OUTLIER -75.48 109.11 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.094 177.504 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.454 ' HB3' ' HG2' ' S' ' 37' ' ' LYS . 15.0 m-20 -86.76 141.99 34.17 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.809 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.78 -43.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.73 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.547 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.3 OUTLIER -78.63 -2.75 40.56 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.82 0.343 . . . . 0.0 111.607 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.547 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -158.47 87.86 0.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.363 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.641 ' HB3' ' CZ ' ' S' ' 41' ' ' TYR . 1.9 mp -87.3 -53.05 5.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.825 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.435 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.5 OUTLIER -41.12 -29.65 0.13 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.187 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -29.66 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.657 ' CE1' HD12 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -86.17 9.75 16.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -127.37 127.62 44.51 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.247 -179.167 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.707 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -64.09 -170.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 178.551 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.495 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 32.0 p-10 -67.43 -36.18 80.72 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.877 0.471 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.92 -53.42 46.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.86 -35.07 79.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.707 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.26 -46.07 90.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.269 177.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.7 mt-10 -56.74 -51.67 67.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.729 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -79.83 -12.41 59.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 -60.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' S' ' 70' ' ' LYS . 5.6 mt -110.9 -6.68 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 14.8 m-20 67.94 13.45 9.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.58 0.229 . . . . 0.0 111.076 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.656 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.26 -160.14 0.91 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.48 155.11 50.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 28.5 ttm180 -59.39 -26.64 65.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.06 -9.08 44.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.242 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -52.66 4.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -67.44 -30.48 70.23 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.129 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.92 -31.81 18.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.457 179.793 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.83 -32.05 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.595 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 18.6 mt -60.78 162.13 13.02 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 3.7 Cg_endo -48.27 159.22 0.77 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.943 2.428 . . . . 0.0 111.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.423 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -87.92 -22.46 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.21 -46.15 8.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -62.01 -42.21 98.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.509 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.68 -39.14 93.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 28.3 t -69.63 -39.94 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.52 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 59.0 t30 -41.13 -52.98 3.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -75.55 -26.1 57.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.266 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.682 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.782 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.452 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 83.5 mttt -55.72 -48.19 75.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.605 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.84 -25.99 8.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.406 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -19.62 24.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -6.81 28.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.7 OUTLIER -90.81 -68.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.723 0.297 . . . . 0.0 110.277 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.682 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.493 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.481 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 1.1 mp . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.523 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 4.6 m-30 -89.94 141.62 28.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.441 ' O ' HD22 ' S' ' 24' ' ' LEU . 1.6 Cg_endo -45.38 108.03 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.148 2.565 . . . . 0.0 113.049 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.1 pp -38.31 -35.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.22 85.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.514 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -53.98 -44.39 70.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.09 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' S' ' 21' ' ' LEU . 0.1 OUTLIER -84.48 -15.1 47.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.334 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 11.4 tp -105.33 38.83 1.86 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 96.46 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.57 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.87 134.5 9.08 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 178.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.57 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.5 Cg_exo -30.77 85.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.237 2.625 . . . . 0.0 112.925 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -81.44 159.13 67.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.116 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 62.9 Cg_endo -80.03 -159.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.053 2.502 . . . . 0.0 111.839 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -92.86 -40.98 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.698 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.493 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.18 -26.68 6.6 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.44 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.487 HG23 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -80.65 108.79 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 114.893 -0.654 . . . . 0.0 109.462 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.2 m-20 -84.92 135.48 39.82 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -75.23 -1.28 11.07 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.524 2.149 . . . . 0.0 113.642 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -121.11 16.13 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 19.5 pttt -172.02 82.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.133 0.492 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.629 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.04 -49.29 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.535 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.502 ' HA ' ' CD1' ' S' ' 42' ' ' LEU . 2.9 pt-20 -45.01 -28.23 0.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.3 0.572 . . . . 0.0 110.188 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -43.91 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.231 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.629 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 3.9 p90 -100.33 36.48 1.87 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' S' ' 39' ' ' GLU . 0.4 OUTLIER -138.26 129.18 26.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.605 178.41 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.71 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -65.62 -174.08 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.847 178.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.1 p-10 -63.89 -34.95 79.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.97 -53.97 26.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 51.1 t0 -64.07 -32.65 74.29 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.71 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -65.53 -48.24 73.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.302 178.075 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.52 -36.98 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -16.12 36.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.52 -61.22 1.89 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.711 0.291 . . . . 0.0 111.338 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.566 HD22 ' CA ' ' S' ' 70' ' ' LYS . 1.6 mp -132.49 14.69 4.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.388 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.41 13.91 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.473 0.178 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.624 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -114.9 -167.18 1.19 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -133.47 160.97 35.83 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 9.1 ttt180 -60.8 -26.62 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.25 -9.03 43.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.44 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -48.87 6.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.446 ' CE1' ' HG2' ' S' ' 53' ' ' MET . 2.4 m-30 -72.68 -29.67 63.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.736 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -48.8 -22.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.651 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.74 -37.08 5.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 111.252 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 162.17 13.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.473 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 49.0 Cg_exo -54.3 164.15 3.01 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.191 1.927 . . . . 0.0 111.697 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.447 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -84.28 -24.14 30.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.865 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.44 -41.04 11.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -58.79 -40.32 83.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.443 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.1 pt20 -64.79 -42.34 95.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.495 HG23 ' CE2' ' S' ' 76' ' ' PHE . 62.5 t -62.46 -40.23 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.505 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.1 t30 -40.85 -55.04 2.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.106 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' S' ' 51' ' ' LEU . 6.4 tp -69.46 -25.62 64.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.845 ' HG3' ' HB2' ' S' ' 75' ' ' LEU . 2.3 tptm -61.06 -68.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -47.24 -34.22 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.41 65.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -99.22 -25.56 14.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.686 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.35 16.89 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.614 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.845 ' HB2' ' HG3' ' S' ' 70' ' ' LYS . 1.0 OUTLIER -79.42 -81.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.288 0.544 . . . . 0.0 110.506 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.573 ' H ' ' CG ' ' S' ' 70' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.265 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.475 HG12 ' HB ' ' S' ' 43' ' ' THR . 1.5 mp . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 2.9 m-85 -97.82 138.56 21.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.013 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.94 115.06 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.058 2.505 . . . . 0.0 113.268 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.3 OUTLIER -42.29 -41.06 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.417 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -52.35 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 0.0 111.511 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -61.32 -31.34 71.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.609 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -90.93 -22.89 20.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.842 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 22.3 tp -69.35 -18.08 63.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 170.33 45.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.732 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.87 154.23 34.32 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.961 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.524 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.3 Cg_endo -43.67 71.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.225 2.617 . . . . 0.0 111.882 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.2 pp -71.56 153.79 93.48 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.303 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.5 Cg_endo -59.92 -163.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.96 3.107 . . . . 0.0 113.267 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' S' ' 33' ' ' VAL . 3.5 tt0 -101.08 -37.81 8.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.64 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.41 -27.41 4.1 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.546 HG22 ' CD1' ' S' ' 41' ' ' TYR . 1.2 t -74.95 117.55 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.146 -1.027 . . . . 0.0 109.139 177.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.401 ' HB3' ' CD2' ' S' ' 36' ' ' LEU . 0.6 OUTLIER -95.07 128.57 38.45 Favored Pre-proline 0 C--N 1.324 -0.517 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.853 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 61.1 Cg_endo -73.0 -21.53 20.63 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.507 2.138 . . . . 0.0 113.287 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.429 HD23 ' CG ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -75.37 -14.41 60.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 111.659 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.429 ' CG ' HD23 ' S' ' 36' ' ' LEU . 0.3 OUTLIER -173.75 114.41 0.21 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.717 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 3.2 mt -87.42 -38.22 16.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.481 ' HB3' ' HD2' ' S' ' 70' ' ' LYS . 2.5 pt-20 -43.49 -25.02 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.427 ' CG2' ' HG3' ' S' ' 37' ' ' LYS . 2.0 pp -69.92 -27.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 22.8 p90 -109.24 39.71 2.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.493 HD11 ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.61 115.52 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.487 ' O ' ' N ' ' S' ' 46' ' ' ASP . 1.8 t -60.68 154.8 20.54 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' S' ' 48' ' ' GLU . 4.0 p-10 -33.9 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.698 0.799 . . . . 0.0 112.295 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -66.99 -52.99 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' S' ' 43' ' ' THR . 58.6 t0 -68.59 -33.55 74.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.777 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.493 ' CG ' HD11 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -66.21 -42.34 88.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.544 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 44' ' ' ASP . 4.6 mt-10 -69.46 -35.97 76.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -84.71 -14.26 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.36 -61.21 1.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.388 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.62 HD22 ' N ' ' S' ' 70' ' ' LYS . 3.5 mp -125.81 5.55 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.441 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.97 13.47 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.465 0.174 . . . . 0.0 110.676 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.498 ' HG2' ' CE1' ' S' ' 58' ' ' TYR . 3.4 tpp -112.67 -169.25 1.44 Allowed 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 166.6 22.05 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 21.9 ttt180 -65.8 -31.43 72.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.347 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -8.87 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.901 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -95.3 -57.64 2.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' S' ' 53' ' ' MET . 1.2 m-30 -62.04 -28.88 69.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -50.68 -25.81 4.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.306 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.93 -33.37 5.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.707 0.289 . . . . 0.0 111.623 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 9.2 mt -60.81 165.06 6.38 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.412 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 62.4 Cg_exo -50.17 157.55 2.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.174 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.461 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -86.15 -19.35 30.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.531 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.9 -46.07 8.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -58.19 -42.71 86.71 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.457 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -64.16 -44.17 92.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.485 ' HA ' ' HB2' ' S' ' 70' ' ' LYS . 50.6 t -60.88 -39.17 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.531 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.7 t30 -43.56 -57.57 3.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.451 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.718 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.774 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -75.43 -49.1 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -61.53 -39.99 93.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.59 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -32.0 59.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.407 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.0 -23.2 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.33 17.74 8.58 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.762 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.569 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.2 OUTLIER -107.56 -69.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.118 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.774 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.432 HG23 ' CA ' ' S' ' 42' ' ' LEU . 2.5 pt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.975 0.416 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.528 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 7.3 m-30 -89.85 139.66 27.68 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' S' ' 23' ' ' ASP . 1.7 Cg_endo -45.68 100.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.925 2.417 . . . . 0.0 113.39 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.7 OUTLIER -37.1 -32.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 110.878 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' S' ' 27' ' ' ARG . 4.1 m-20 -70.03 -22.81 63.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.539 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -95.42 -11.84 26.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.241 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 12.3 tp -99.38 2.67 45.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 164.51 44.34 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.498 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.645 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.2 tmt_? -150.77 145.39 18.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.037 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.645 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 19.0 Cg_endo -57.53 64.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.634 2.222 . . . . 0.0 111.851 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.1 pt? -65.09 159.22 66.75 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.612 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.528 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 63.2 Cg_endo -71.35 -161.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.042 2.495 . . . . 0.0 112.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.88 -11.11 20.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.957 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.72 -24.97 13.98 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.048 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.518 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 17.0 m -82.44 108.94 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.875 -0.662 . . . . 0.0 110.274 178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.454 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 3.0 m-20 -81.91 105.41 4.44 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 2.2 Cg_endo -42.52 -47.05 7.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.034 2.489 . . . . 0.0 113.752 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.487 HD21 ' CG ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -63.04 -15.59 57.02 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.331 -179.574 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.571 ' HA ' ' CD2' ' S' ' 76' ' ' PHE . 27.6 pttt -149.57 100.09 2.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.507 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.611 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 1.1 mt -87.12 -46.67 9.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.496 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.494 ' HA ' ' CD1' ' S' ' 42' ' ' LEU . 3.6 pt-20 -42.05 -24.95 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.407 ' CD1' ' HG3' ' S' ' 37' ' ' LYS . 18.2 pt -60.13 -38.04 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.611 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 38.6 p90 -103.61 36.54 2.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.494 ' CD1' ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.61 124.17 19.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.672 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 7.9 t -66.93 -168.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.06 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -66.5 -37.8 85.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.94 -52.53 55.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.443 ' OD2' ' HB3' ' S' ' 42' ' ' LEU . 56.7 t0 -64.84 -35.37 80.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.672 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -64.09 -45.92 86.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.084 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 6.0 mt-10 -60.34 -35.84 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.812 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -24.31 30.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.37 -60.94 2.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -133.29 8.11 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.436 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 14.7 m-20 66.62 15.11 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.589 0.233 . . . . 0.0 110.842 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.478 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -105.52 -166.23 1.19 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.675 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 158.1 44.04 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.623 0.249 . . . . 0.0 110.805 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 7.5 ttm180 -61.26 -29.76 70.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.029 0.442 . . . . 0.0 109.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -88.99 -8.39 54.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.787 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.85 -54.79 3.48 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.679 0.752 . . . . 0.0 109.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.505 ' CE2' ' CD2' ' S' ' 51' ' ' LEU . 1.4 m-30 -68.25 -26.63 65.78 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.859 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.2 OUTLIER -48.55 -27.22 2.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.532 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.62 -28.92 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.62 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.69 151.63 70.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.799 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 4.3 Cg_exo -41.33 142.8 0.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.275 2.65 . . . . 0.0 112.214 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' S' ' 67' ' ' VAL . . . -74.33 -19.14 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.39 -42.78 10.72 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -63.19 -37.77 88.55 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.693 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 3.8 pt20 -65.23 -42.03 93.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.547 HG22 ' O ' ' S' ' 64' ' ' TRP . 3.2 m -69.46 -37.75 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.593 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 66.6 t30 -42.24 -41.54 2.77 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.853 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' S' ' 51' ' ' LEU . 0.8 OUTLIER -79.52 -45.61 18.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.78 ' HB3' ' H ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -68.36 -32.96 73.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.792 0.33 . . . . 0.0 110.457 -179.476 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -64.58 -39.95 94.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.948 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.11 70.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.484 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -89.9 -25.29 21.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.41 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.43 24.16 7.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.533 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.49 ' CD1' ' HG2' ' S' ' 70' ' ' LYS . 4.2 mt -94.39 -82.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.78 ' H ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.656 HG21 ' HA ' ' S' ' 42' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 121.179 0.514 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.509 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 8.0 m-30 -92.75 134.41 27.71 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -49.0 115.51 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.9 2.4 . . . . 0.0 113.353 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.9 OUTLIER -40.84 -32.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.074 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.58 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.144 0.497 . . . . 0.0 110.558 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.647 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 2.6 m-20 -61.14 -24.59 66.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.184 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.575 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -102.32 -9.86 20.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.543 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 11.6 tp -100.66 4.85 43.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 162.49 42.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.78 0.324 . . . . 0.0 111.485 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.667 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.88 141.55 14.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.667 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 10.4 Cg_endo -52.71 71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.694 2.263 . . . . 0.0 112.078 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.6 OUTLIER -71.86 159.36 85.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.48 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.509 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 90.7 Cg_endo -77.41 -160.86 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.9 2.4 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.18 -6.97 22.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.933 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.468 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.87 -25.96 17.2 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' S' ' 41' ' ' TYR . 15.2 m -76.29 157.45 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.284 -0.958 . . . . 0.0 109.784 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.517 ' HB3' HD23 ' S' ' 36' ' ' LEU . 1.4 m-20 -125.22 108.65 27.2 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.455 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 23.0 Cg_endo -60.42 -13.74 26.55 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.762 2.308 . . . . 0.0 114.393 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.568 HD22 ' N ' ' S' ' 37' ' ' LYS . 0.5 OUTLIER -77.89 -8.29 57.87 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 111.733 -179.588 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.568 ' N ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER 171.49 89.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.582 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 8.1 mt -56.69 -30.32 63.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.567 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER -39.59 -26.96 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -70.47 -36.34 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 52.8 p90 -97.53 35.41 1.65 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.656 ' HA ' HG21 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -138.48 115.3 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 5.1 t -63.04 -170.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 21.4 p-10 -65.75 -32.74 74.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.35 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.64 -49.02 67.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 37.2 t0 -67.74 -38.56 83.67 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.613 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.6 OUTLIER -62.77 -42.16 99.56 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.212 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.34 -46.06 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.344 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.0 -16.59 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' S' ' 46' ' ' ASP . . . -100.01 -23.85 14.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' S' ' 47' ' ' PHE . 12.7 mt -141.57 -4.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' S' ' 47' ' ' PHE . 5.3 m-20 62.3 13.59 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.613 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -127.4 -159.28 0.93 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.543 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 54' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 1.1 p -133.74 155.91 48.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.816 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 1.0 OUTLIER -59.63 -27.73 66.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.95 -9.26 54.14 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.652 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . 0.409 ' CG ' ' CD1' ' S' ' 61' ' ' LEU . 1.4 tt0 -95.14 -57.86 2.31 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -60.43 -28.79 68.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.25 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -54.44 -25.51 25.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.281 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.58 -29.3 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.76 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.3 OUTLIER -60.86 168.6 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.719 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . 0.429 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 52.3 Cg_exo -52.38 160.23 3.71 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.065 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.44 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -88.07 -21.03 24.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.663 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.48 -43.59 10.15 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.567 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.4 OUTLIER -60.84 -42.86 98.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.737 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.97 -43.26 99.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 77.7 t -64.06 -39.79 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.568 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 57.7 t30 -43.17 -55.86 3.72 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.128 0.489 . . . . 0.0 111.22 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.418 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 3.5 mm? -69.99 -38.72 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.755 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.746 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -63.29 -47.05 83.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.766 -179.2 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.419 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 16.4 mttp -57.51 -35.8 70.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -26.69 66.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.334 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -17.38 28.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.29 -11.15 28.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.827 -0.702 . . . . 0.0 113.259 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.63 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 3.9 mt -84.18 -71.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.746 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.284 179.155 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' S' ' 42' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.277 0.561 . . . . 0.0 111.945 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.585 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 19.3 m-30 -98.59 134.42 21.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.66 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.3 Cg_endo -48.51 136.91 26.2 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.862 2.374 . . . . 0.0 112.765 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.95 -45.24 86.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.258 -179.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.93 72.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.427 0.632 . . . . 0.0 110.907 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.506 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.6 OUTLIER -50.14 -21.42 1.29 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.398 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.51 HD13 ' OH ' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -115.64 -27.45 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.413 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 0.4 OUTLIER -62.41 -13.52 30.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.239 -179.531 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 166.45 47.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 179.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.726 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.48 142.34 15.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.766 -179.341 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.726 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 96.5 Cg_exo -40.48 79.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.399 2.066 . . . . 0.0 111.837 178.518 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.4 pp -76.29 155.64 83.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.489 -1.232 . . . . 0.0 112.651 -178.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.585 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 55.8 Cg_endo -66.46 -162.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.861 3.041 . . . . 0.0 113.21 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -96.26 -42.5 8.14 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.44 -26.99 3.89 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 119.804 -1.189 . . . . 0.0 110.216 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -81.15 111.24 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 114.786 -0.707 . . . . 0.0 109.645 178.304 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.47 ' HB3' HD13 ' S' ' 36' ' ' LEU . 1.7 m-20 -96.6 126.56 42.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.18 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.405 ' O ' HD23 ' S' ' 38' ' ' LEU . 19.3 Cg_endo -58.18 -38.37 91.56 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.774 2.316 . . . . 0.0 113.58 -178.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -76.35 -20.58 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.825 -179.25 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.48 ' CB ' HD21 ' S' ' 36' ' ' LEU . 0.2 OUTLIER -132.74 91.85 2.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 110.233 179.455 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.616 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 8.1 mt -88.14 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.484 ' H ' ' HE3' ' S' ' 70' ' ' LYS . 0.4 OUTLIER -39.2 -25.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.695 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -77.45 -23.81 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.616 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -95.77 25.7 4.48 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.651 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -138.14 115.91 11.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.23 179.751 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.689 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.9 t -59.7 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.441 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.9 p30 -68.0 -39.35 83.24 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 122.731 0.412 . . . . 0.0 110.38 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.34 -51.53 65.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -66.47 -35.42 80.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.98 -43.69 98.1 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 178.082 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.14 -43.05 77.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.439 -179.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.1 -37.15 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.484 HD22 ' HE2' ' S' ' 58' ' ' TYR . 1.4 mt -140.01 1.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.249 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 61.41 13.75 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.334 -0.147 . . . . 0.0 111.183 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.631 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.71 -161.17 0.83 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.576 179.472 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 2.8 p -133.97 151.75 51.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.5 OUTLIER -59.2 -25.71 64.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.513 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.95 -8.99 47.72 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -93.32 -56.53 2.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.525 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -62.41 -31.69 72.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.043 177.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.4 OUTLIER -51.35 -26.07 7.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.289 179.558 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.42 -30.9 5.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.654 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 7.8 mt -60.78 159.13 27.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.712 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -49.84 143.75 22.55 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.38 2.054 . . . . 0.0 111.851 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.464 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -74.74 -15.0 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.939 -179.469 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.72 -45.82 8.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.37 -42.02 94.94 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.494 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . 0.525 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.71 -44.09 97.12 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 77.7 t -63.26 -38.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.565 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.5 t30 -45.86 -60.37 2.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 111.502 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.35 -12.8 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.855 -179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.534 ' HB3' ' N ' ' S' ' 76' ' ' PHE . 30.9 mtpt -74.49 -46.06 41.95 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.41 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 20.1 mttt -63.3 -37.46 87.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.139 179.222 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.57 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -16.29 30.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.23 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.36 -11.52 28.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.484 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.632 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 7.8 mt -81.24 -73.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.767 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.765 ' OXT' ' CD1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 O-C-N 124.363 1.039 . . . . 0.0 111.95 178.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 18' ' ' ILE . . . . . 0.451 HD11 ' O ' ' S' ' 19' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 . . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 19' ' ' TYR . . . . . 0.539 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.8 m-30 -93.85 140.09 22.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.832 179.365 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 20' ' ' PRO . . . . . 0.422 ' O ' HD21 ' S' ' 24' ' ' LEU . 5.9 Cg_endo -47.73 106.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.266 2.644 . . . . 0.0 113.515 -178.529 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 21' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -40.23 -36.26 0.5 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.232 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.18 77.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.923 0.392 . . . . 0.0 111.232 -179.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 23' ' ' ASP . . . . . 0.561 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.4 OUTLIER -65.15 -27.38 68.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -179.103 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 24' ' ' LEU . . . . . 0.612 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -95.51 -17.71 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.04 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 25' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 7.7 tp -81.76 -10.66 59.29 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.155 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 26' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 39.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 27' ' ' ARG . . . . . 0.698 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.85 154.0 34.09 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.238 179.133 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 28' ' ' PRO . . . . . 0.533 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.2 Cg_endo -44.89 72.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.244 2.629 . . . . 0.0 112.353 178.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 29' ' ' LEU . . . . . 0.698 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.6 pp -69.71 155.16 94.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.547 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 30' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 68.2 Cg_endo -70.94 -162.95 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.388 2.725 . . . . 0.0 113.372 -179.107 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -93.1 -40.01 10.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.583 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 32' ' ' GLY . . . . . 0.486 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -45.73 -29.87 3.2 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 177.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 33' ' ' VAL . . . . . 0.517 ' CG2' ' CE1' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -74.08 113.87 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.211 -0.994 . . . . 0.0 108.818 177.366 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 34' ' ' ASP . . . . . 0.417 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 4.6 m-20 -90.33 126.74 55.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.219 -178.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 35' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 65.4 Cg_endo -73.68 -16.38 23.81 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.588 2.192 . . . . 0.0 113.579 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 36' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -78.7 -14.36 59.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.669 0.271 . . . . 0.0 111.644 -179.623 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 37' ' ' LYS . . . . . 0.445 ' N ' ' CD2' ' S' ' 36' ' ' LEU . 3.2 pttt -177.72 114.34 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 38' ' ' LEU . . . . . 0.708 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 2.5 mt -87.46 -36.34 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 39' ' ' GLU . . . . . 0.522 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.2 OUTLIER -44.73 -25.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.672 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 40' ' ' ILE . . . . . 0.405 ' CG2' ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -68.33 -38.37 79.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 41' ' ' TYR . . . . . 0.708 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 27.3 p90 -96.25 35.61 1.43 Allowed 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 42' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.4 115.54 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.596 177.429 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 43' ' ' THR . . . . . 0.674 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -60.87 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.09 179.454 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 44' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 20.7 p-10 -66.62 -36.91 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.247 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.61 -50.99 55.43 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 46' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 14.9 t0 -65.4 -31.83 73.14 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.163 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 47' ' ' PHE . . . . . 0.674 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.09 -47.03 69.33 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.292 177.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.59 -51.74 68.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.651 -178.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -75.18 -15.66 60.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.28 -61.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 51' ' ' LEU . . . . . 0.524 HD23 ' HG3' ' S' ' 70' ' ' LYS . 2.3 mt -109.17 -9.85 15.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 52' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' S' ' 47' ' ' PHE . 3.4 m-20 70.11 13.48 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.519 0.199 . . . . 0.0 111.181 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 53' ' ' MET . . . . . 0.62 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -119.88 -159.94 0.8 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.449 179.378 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.36 159.12 41.24 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.582 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 55' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.6 OUTLIER -62.18 -28.45 69.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.76 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -92.22 -8.96 43.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.441 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -49.76 6.31 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.605 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 58' ' ' TYR . . . . . 0.488 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.6 m-30 -71.36 -32.17 68.19 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.333 178.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 59' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.1 m-20 -51.15 -28.07 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.295 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.34 -34.96 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.506 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.69 160.53 18.94 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.468 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -49.35 161.67 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.256 1.971 . . . . 0.0 111.82 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 63' ' ' ALA . . . . . 0.46 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -84.2 -20.24 32.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.673 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 64' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.35 -43.87 10.05 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.563 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 65' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.09 96.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.566 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.92 -41.59 97.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 67' ' ' VAL . . . . . 0.576 ' HA ' ' HE2' ' S' ' 70' ' ' LYS . 97.4 t -66.44 -39.36 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 68' ' ' ASN . . . . . 0.537 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -40.42 -50.45 2.87 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.528 179.058 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 69' ' ' LEU . . . . . 0.413 ' HB3' HD22 ' S' ' 51' ' ' LEU . 1.8 mm? -77.01 -28.93 55.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 70' ' ' LYS . . . . . 0.805 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.6 mtmm -64.61 -52.27 58.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.261 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 71' ' ' LYS . . . . . 0.447 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 0.2 OUTLIER -61.31 -36.72 80.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.569 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.67 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.77 -16.34 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.693 0.282 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.22 -10.9 28.92 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.162 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' S' S ' 75' ' ' LEU . . . . . 0.569 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -83.23 -71.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.204 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' S' S ' 76' ' ' PHE . . . . . 0.805 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.733 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 67.7 mt -88.26 -31.51 18.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.56 -42.76 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -117.7 141.45 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.65 158.7 18.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -138.35 114.5 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -111.43 156.2 22.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -133.73 130.57 38.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.44 HG12 ' N ' ' S' ' 43' ' ' THR . 0.9 OUTLIER -89.62 145.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.538 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 6.7 m-30 -96.22 143.97 27.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -45.75 114.81 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 113.166 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.538 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.4 pp -41.86 -36.34 1.03 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.931 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . 0.402 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -56.33 -51.98 66.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.889 0.376 . . . . 0.0 110.548 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.449 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 1.1 m-20 -51.45 -44.56 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.189 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.538 ' HG ' ' O ' ' S' ' 21' ' ' LEU . 0.1 OUTLIER -84.2 -13.13 53.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.518 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 12.2 tp -104.68 34.54 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.535 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 96.77 49.22 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.594 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.89 136.4 10.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.594 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 58.1 Cg_exo -30.68 80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.471 2.781 . . . . 0.0 113.071 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.59 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.2 pp -77.79 158.11 78.49 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.777 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.538 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 60.2 Cg_endo -80.24 -159.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.129 2.553 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -93.92 -40.81 9.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.455 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.41 -27.69 5.92 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.322 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.525 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 1.2 t -79.56 108.98 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.907 -0.647 . . . . 0.0 109.483 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.449 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.4 m-20 -89.02 123.96 66.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.32 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -58.58 -35.14 99.06 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.67 2.247 . . . . 0.0 113.511 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.508 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -77.18 -17.22 58.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.464 ' CB ' HD22 ' S' ' 36' ' ' LEU . 0.5 OUTLIER -141.99 88.61 2.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 111.303 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.627 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 3.7 mt -87.82 -51.25 5.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.671 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.442 ' HB2' ' CE1' ' S' ' 47' ' ' PHE . 0.9 OUTLIER -45.31 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 pp -75.17 -18.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.627 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -111.71 32.97 5.04 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.451 HD13 ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.06 122.42 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.924 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.44 ' N ' HG12 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -65.93 156.1 34.5 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.119 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' S' ' 48' ' ' GLU . 6.0 p-10 -34.67 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.288 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -68.04 -55.32 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.415 ' N ' ' O ' ' S' ' 43' ' ' THR . 47.8 t0 -66.45 -32.86 74.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.876 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.65 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.1 OUTLIER -70.13 -41.82 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.625 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' S' ' 44' ' ' ASP . 10.1 mt-10 -79.69 -25.13 41.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -85.19 -36.45 21.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.458 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.38 -22.2 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.476 HD23 ' CD ' ' S' ' 70' ' ' LYS . 10.0 mt -130.99 -10.75 3.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 53.7 m-20 63.12 13.33 6.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.65 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -130.66 -172.13 2.73 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 8.9 t -133.57 156.93 46.94 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.972 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.496 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -51.73 -26.84 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.44 -9.38 50.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.879 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 22.0 tp10 -95.53 -55.91 2.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.51 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 3.0 m-30 -63.29 -29.42 70.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.496 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.7 m-20 -52.37 -28.1 18.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.294 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.96 -34.6 7.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.623 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.84 161.66 14.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 -179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.454 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 50.8 Cg_exo -51.48 166.74 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.264 1.976 . . . . 0.0 111.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.488 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.3 -45.37 9.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.42 -43.86 98.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.474 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.88 -42.33 97.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . . . . . . . . . 40.3 t -66.27 -41.0 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.171 177.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.535 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.3 t30 -40.65 -42.49 1.73 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -73.02 -48.1 39.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.444 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.497 ' CE ' ' CE1' ' S' ' 76' ' ' PHE . 0.4 OUTLIER -48.56 -55.73 10.31 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 110.972 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -60.48 -29.9 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.89 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -25.23 20.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.84 3.12 34.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.731 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.422 ' CD1' ' HG ' ' S' ' 51' ' ' LEU . 21.6 mt -62.85 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.434 0.617 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.497 ' CE1' ' CE ' ' S' ' 70' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -78.19 -31.45 49.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.63 94.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -92.49 158.69 15.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -90.28 122.02 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -139.67 130.06 25.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 129.7 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.37 150.12 35.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.2 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' S' ' 42' ' ' LEU . 1.0 OUTLIER -89.88 120.89 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.289 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.415 ' CE2' ' HA3' ' S' ' 32' ' ' GLY . 5.9 m-30 -89.5 142.21 29.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -49.89 98.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.648 2.232 . . . . 0.0 112.744 -178.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.485 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 0.9 OUTLIER -35.99 -37.48 0.11 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.577 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -68.13 -50.73 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.214 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.494 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -56.13 -19.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.947 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.628 ' HA ' ' HB3' ' S' ' 29' ' ' LEU . 0.3 OUTLIER -115.32 -23.59 8.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 31.4 tp -57.14 -19.84 22.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 165.87 40.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.826 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.79 155.89 35.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 119.745 -0.169 . . . . 0.0 110.846 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -34.15 67.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.397 2.731 . . . . 0.0 112.918 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.826 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.5 OUTLIER -68.12 158.12 85.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.8 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.487 ' HD2' ' HB2' ' S' ' 29' ' ' LEU . 29.3 Cg_endo -60.67 -164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.509 2.806 . . . . 0.0 112.846 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -104.4 -40.16 6.18 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.415 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.5 -27.83 6.17 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.456 HG21 ' CE2' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -79.48 108.93 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.718 -0.741 . . . . 0.0 109.542 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.421 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 1.6 m-20 -88.87 125.65 61.94 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.93 -32.34 95.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.44 2.093 . . . . 0.0 113.215 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.474 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -76.7 -20.16 56.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.195 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.473 ' HG3' ' O ' ' S' ' 37' ' ' LYS . 0.6 OUTLIER -138.77 91.81 2.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.081 0.467 . . . . 0.0 110.55 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.659 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 10.2 mt -87.7 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.108 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -42.06 -26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.444 HG12 ' HB2' ' S' ' 37' ' ' LYS . 2.2 pp -75.36 -31.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.659 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -91.25 21.62 4.3 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' S' ' 18' ' ' ILE . 0.2 OUTLIER -134.68 129.19 34.42 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.911 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.66 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.1 t -72.22 -169.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.014 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.441 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 14.7 p-10 -66.23 -34.8 78.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.68 -52.91 54.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.43 ' CB ' HD11 ' S' ' 18' ' ' ILE . 19.9 t0 -66.13 -38.66 88.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.66 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -60.85 -42.94 98.8 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.346 178.224 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' S' ' 44' ' ' ASP . 1.4 mt-10 -59.43 -49.04 79.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.943 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -14.22 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' S' ' 46' ' ' ASP . . . -100.18 -46.99 5.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' S' ' 70' ' ' LYS . 6.1 mt -120.5 -2.02 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 0.8 OUTLIER 62.09 13.42 5.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.447 0.165 . . . . 0.0 111.385 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.519 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 3.0 tpp -123.67 -159.15 0.84 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.442 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.61 152.16 51.84 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.73 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.459 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 31.3 ttm180 -57.56 -25.58 60.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.21 -9.47 45.18 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.47 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -93.05 -54.81 3.58 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.5 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.3 m-85 -61.86 -32.31 72.65 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.646 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.458 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.4 OUTLIER -54.36 -28.55 43.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.302 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.42 -30.55 8.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.604 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.433 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.4 OUTLIER -60.9 163.46 9.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.841 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.402 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.04 165.75 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.466 2.11 . . . . 0.0 112.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.21 -26.39 22.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 111.266 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.529 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.11 -44.8 9.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -62.13 -43.44 98.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.5 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.97 -39.62 90.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . . . . . . . . . 46.5 t -69.31 -39.98 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.047 177.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.529 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.4 t30 -40.43 -43.03 1.72 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.414 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 1.5 mm? -76.36 -47.81 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.085 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.503 ' CD ' ' CD1' ' S' ' 76' ' ' PHE . 35.0 mttt -50.3 -53.92 25.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.175 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -67.82 -26.61 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.84 -25.48 32.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.43 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -89.96 -25.05 21.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.0 -11.09 29.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.409 ' O ' HD11 ' S' ' 38' ' ' LEU . 16.1 mt -57.58 -83.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.121 0.46 . . . . 0.0 110.039 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' CD ' ' S' ' 70' ' ' LYS . 1.6 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.986 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.73 -26.87 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.72 81.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -108.93 130.71 55.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -117.32 138.38 51.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -95.84 163.17 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -127.92 140.86 51.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.4 127.02 16.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 1.3 mp -89.47 132.44 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.506 ' CE2' ' HA3' ' S' ' 32' ' ' GLY . 4.9 m-30 -92.44 139.42 23.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.522 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 10.0 Cg_endo -51.48 111.12 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.548 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.2 pp -42.8 -42.98 3.79 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.327 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.88 -56.88 14.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.203 0.525 . . . . 0.0 110.908 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.522 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.3 OUTLIER -48.5 -21.9 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.522 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.457 HD13 ' OH ' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -115.07 -28.93 6.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.548 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 2.0 tp -62.66 -17.24 60.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.847 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 176.83 43.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.089 0.471 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.672 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.35 143.31 16.38 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.672 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.0 Cg_exo -48.88 82.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.16 1.907 . . . . 0.0 111.646 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.552 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -80.11 157.95 72.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.998 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.462 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 41.2 Cg_endo -65.33 -162.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.734 2.289 . . . . 0.0 111.51 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.75 -18.56 16.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.506 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.34 -26.34 13.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.31 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.471 ' HB ' ' CE2' ' S' ' 41' ' ' TYR . 10.4 m -83.37 108.57 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.205 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.42 ' HA ' ' HD2' ' S' ' 35' ' ' PRO . 71.8 m-20 -78.04 110.05 12.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 9.9 Cg_endo -51.92 -21.19 11.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.716 2.277 . . . . 0.0 113.723 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.502 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -95.15 1.49 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.547 ' HG3' ' O ' ' S' ' 37' ' ' LYS . 12.7 ptpt -158.39 84.79 0.85 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.166 0.507 . . . . 0.0 110.175 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.635 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 5.3 mt -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.837 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.418 ' O ' ' CZ ' ' S' ' 47' ' ' PHE . 22.2 pt-20 -44.14 -24.07 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.87 -33.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.635 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -90.48 25.61 2.22 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.815 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.457 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.99 122.21 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.779 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.88 -174.03 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.636 178.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.418 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.9 p-10 -62.11 -39.99 94.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.424 0.452 . . . . 0.0 110.707 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.54 -54.8 30.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 12.2 t0 -62.82 -34.35 77.11 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.779 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -63.5 -48.02 79.32 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.575 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.67 -40.03 82.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.546 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -92.34 -10.94 36.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.436 ' CB ' ' O ' ' S' ' 46' ' ' ASP . . . -99.78 -39.32 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.566 HD22 ' N ' ' S' ' 70' ' ' LYS . 0.5 OUTLIER -136.95 4.3 2.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.18 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.83 13.33 4.36 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.432 -0.168 . . . . 0.0 111.24 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -128.29 -167.01 1.7 Allowed 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 54' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.3 170.91 14.76 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 23.4 ttt180 -69.47 -29.52 67.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -87.26 -9.67 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.868 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . 0.493 ' HB2' ' CG2' ' S' ' 54' ' ' THR . 1.3 tp10 -95.64 -59.89 1.77 Allowed 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.49 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.6 m-30 -56.71 -33.26 66.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.541 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -47.67 -28.32 2.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.48 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.0 -30.17 5.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 2.9 mt -60.86 162.3 12.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.829 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.41 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 52.7 Cg_exo -52.58 143.78 44.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.379 2.052 . . . . 0.0 112.024 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.47 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -72.46 -17.22 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.703 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.554 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.4 -44.04 9.9 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -60.75 -42.82 98.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.432 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 55.7 t -66.1 -39.69 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.554 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 53.5 t30 -42.18 -49.71 4.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.545 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.41 ' CB ' HD23 ' S' ' 51' ' ' LEU . 3.4 mm? -67.29 -38.18 84.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.068 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.604 ' HB3' ' HB2' ' S' ' 76' ' ' PHE . 0.2 OUTLIER -55.11 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -50.43 -28.58 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.02 55.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.46 -25.42 14.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 0.38 29.9 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.888 -0.673 . . . . 0.0 114.225 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.427 ' O ' HD11 ' S' ' 38' ' ' LEU . 21.2 mt -65.45 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.881 0.841 . . . . 0.0 109.84 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.604 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.637 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.815 0.341 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt -105.06 -32.04 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.94 -47.5 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -68.98 151.7 46.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -78.12 143.0 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.56 140.61 49.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.47 107.93 19.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 43.2 m -147.27 144.63 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.468 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 2.2 mp -89.42 133.04 32.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.338 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.507 ' CE2' ' HA3' ' S' ' 32' ' ' GLY . 6.8 m-30 -90.81 142.01 27.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.34 110.85 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.616 2.211 . . . . 0.0 112.842 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.47 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.5 pp -43.7 -38.93 3.37 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.62 84.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.908 0.385 . . . . 0.0 111.021 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.491 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 9.5 m-20 -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.916 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.56 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -84.33 -19.5 33.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.795 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.452 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 23.3 tp -83.18 -9.72 59.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 173.25 37.72 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 179.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.599 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.48 147.81 22.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.278 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.494 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 77.5 Cg_exo -49.77 75.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.821 2.347 . . . . 0.0 112.053 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.599 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -73.26 157.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.387 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.506 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 43.2 Cg_endo -66.28 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.946 2.431 . . . . 0.0 112.278 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.99 -11.75 18.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.872 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.507 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.74 -26.62 11.0 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.281 -1.437 . . . . 0.0 109.545 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' S' ' 41' ' ' TYR . 8.9 m -79.17 155.88 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 114.443 -0.878 . . . . 0.0 109.903 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.437 ' HA ' ' HD2' ' S' ' 35' ' ' PRO . 1.0 OUTLIER -125.17 102.83 30.37 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 1.0 OUTLIER -44.59 -42.01 14.38 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.903 2.402 . . . . 0.0 113.734 -178.451 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.442 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -65.41 -14.74 61.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.769 0.318 . . . . 0.0 111.396 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.466 ' HG3' HG12 ' S' ' 40' ' ' ILE . 10.1 pttt -160.48 96.07 1.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.703 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 6.5 mt -80.03 -53.14 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.468 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.1 OUTLIER -37.12 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.432 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.466 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.5 pp -58.64 -27.15 33.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.703 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 28.9 p90 -106.77 33.28 4.01 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.476 ' CD1' ' CD1' ' S' ' 47' ' ' PHE . 0.4 OUTLIER -138.59 115.96 11.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.103 178.463 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.753 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 4.1 t -59.76 -170.18 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.445 ' N ' ' OG1' ' S' ' 43' ' ' THR . 1.5 p30 -64.05 -38.33 90.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.769 0.428 . . . . 0.0 110.746 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.8 -53.61 37.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.445 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 18.2 t0 -64.47 -30.56 71.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.753 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -68.67 -47.12 67.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.638 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.15 -45.43 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.136 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -17.15 38.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' S' ' 46' ' ' ASP . . . -100.15 -44.78 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.571 HD22 ' N ' ' S' ' 70' ' ' LYS . 2.3 mt -123.03 -5.91 8.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' S' ' 47' ' ' PHE . 2.5 m-20 62.83 13.59 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.491 0.186 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.575 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -122.25 -162.67 1.01 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.514 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -133.43 159.21 41.03 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.656 0.265 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 27.5 ttm180 -63.45 -31.5 72.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 0.0 109.877 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.85 -8.59 54.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.628 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -92.48 -58.57 2.32 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.489 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 1.4 m-30 -60.28 -33.32 72.17 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.425 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.5 OUTLIER -50.27 -24.99 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.345 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.23 -34.73 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.284 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.87 161.45 15.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.61 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.408 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 71.4 Cg_exo -49.48 158.18 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.447 2.098 . . . . 0.0 112.208 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.415 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -87.97 -17.62 30.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.641 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.17 -44.82 9.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -45.3 94.71 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.462 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.79 -39.5 89.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.496 ' HA ' ' HE3' ' S' ' 70' ' ' LYS . 16.0 t -67.1 -40.99 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.53 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 55.1 t30 -43.97 -35.82 2.21 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -77.99 -48.73 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.817 -179.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.571 ' N ' HD22 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -53.09 -49.66 65.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.502 -179.417 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.46 -27.9 68.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.383 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.97 -30.57 44.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.317 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -94.51 -25.26 16.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.1 -7.45 29.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.766 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.529 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 58.0 mt -51.61 -85.53 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 117.626 0.713 . . . . 0.0 109.966 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.555 ' CE2' ' HD2' ' S' ' 70' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.783 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.7 ttm . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.874 0.369 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.85 -31.71 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.47 -30.36 67.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.233 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -97.73 116.55 30.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.13 124.52 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.1 114.32 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.118 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -113.96 122.68 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -124.67 141.27 52.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.009 0.433 . . . . 0.0 111.204 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' S' ' 42' ' ' LEU . 28.7 mm -89.37 150.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.227 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.48 ' CZ ' ' HA3' ' S' ' 32' ' ' GLY . 1.8 m-30 -89.73 130.28 43.62 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.461 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 8.3 Cg_endo -51.21 105.81 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.776 2.317 . . . . 0.0 112.778 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.437 ' HA ' ' CG ' ' S' ' 24' ' ' LEU . 0.8 OUTLIER -40.56 -37.35 0.7 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.091 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.75 95.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.774 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.533 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 5.3 m-20 -66.73 -34.97 79.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.872 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.516 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -89.1 -11.87 42.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.408 ' CD1' ' O ' ' S' ' 25' ' ' LEU . 2.5 pp -109.25 11.89 25.15 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 176.42 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 179.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.587 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.88 154.29 34.37 Favored Pre-proline 0 N--CA 1.463 0.187 0 O-C-N 121.89 -0.506 . . . . 0.0 111.429 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.465 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 10.2 Cg_endo -50.86 76.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.047 2.498 . . . . 0.0 111.809 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.5 pt? -74.62 151.48 87.11 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.014 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.438 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 36.8 Cg_endo -63.44 -161.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.068 2.512 . . . . 0.0 111.927 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.75 -17.05 15.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.48 ' HA3' ' CZ ' ' S' ' 19' ' ' TYR . . . -50.53 -27.26 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 119.45 -1.357 . . . . 0.0 109.871 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.487 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 16.7 m -81.18 126.17 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 114.611 -0.794 . . . . 0.0 110.215 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.436 ' HA ' ' HD2' ' S' ' 35' ' ' PRO . 4.7 m-20 -95.3 103.76 13.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.436 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 6.2 Cg_exo -39.89 -44.17 3.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.052 2.502 . . . . 0.0 113.651 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.49 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -73.17 -20.98 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.082 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' S' ' 76' ' ' PHE . 1.7 ptmt -138.84 92.96 2.65 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.668 0.271 . . . . 0.0 110.771 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.765 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 7.8 mt -88.06 -50.33 6.47 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.432 ' HA ' ' CD1' ' S' ' 42' ' ' LEU . 0.0 OUTLIER -49.73 -19.9 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.439 HG12 ' HB2' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -72.03 -32.84 45.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.765 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 31.6 p90 -100.59 33.88 2.6 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.487 ' HA ' ' CG2' ' S' ' 18' ' ' ILE . 0.2 OUTLIER -137.99 123.56 19.7 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.08 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.555 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 8.1 p -67.1 -176.96 0.59 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.067 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.451 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 18.4 p-10 -60.98 -33.37 73.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.49 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.57 -51.26 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -66.1 -38.02 87.2 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.641 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.2 OUTLIER -62.03 -44.61 96.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.344 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' S' ' 44' ' ' ASP . 2.4 mt-10 -58.18 -46.68 85.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.678 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -14.75 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.16 -43.88 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.544 ' CD2' ' HG3' ' S' ' 70' ' ' LYS . 5.1 mt -125.53 -5.33 7.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' S' ' 47' ' ' PHE . 27.6 m-20 64.87 13.29 8.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.293 -0.163 . . . . 0.0 111.314 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.641 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.56 -159.05 0.85 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.489 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -133.65 153.67 51.5 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.415 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.6 OUTLIER -61.93 -25.62 67.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -90.81 -9.37 46.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.267 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -94.27 -54.37 3.58 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.488 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.6 m-30 -62.14 -32.57 73.18 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.931 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.0 m-20 -51.52 -25.82 7.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.25 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.01 -32.46 6.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.588 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.437 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.8 OUTLIER -60.76 168.49 2.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.802 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -54.44 160.68 6.55 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 112.063 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.464 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -88.17 -24.36 23.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.255 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -45.49 8.89 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.68 97.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.295 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.422 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.02 -40.52 98.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.568 ' HA ' ' HE3' ' S' ' 70' ' ' LYS . 74.9 t -67.7 -39.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.544 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 54.9 t30 -41.92 -42.12 2.67 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 110.736 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.406 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 2.7 mm? -72.84 -47.88 42.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.761 ' HD2' ' CD1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -49.54 -61.95 1.82 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -48.75 -40.75 29.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.41 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -90.19 -25.34 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 41.31 3.85 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.227 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.57 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 5.1 mt -108.4 -79.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.761 ' CD1' ' HD2' ' S' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 5.2 mmt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 mt -99.17 -30.98 11.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.04 90.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -92.52 123.31 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.85 158.58 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.97 152.53 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.54 124.62 51.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -153.11 143.65 22.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.49 HG12 ' HB ' ' S' ' 43' ' ' THR . 4.2 mp -89.83 128.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.331 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.494 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.5 m-30 -99.5 156.97 34.8 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.505 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 5.7 Cg_endo -49.19 100.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.926 2.417 . . . . 0.0 112.87 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.473 ' HA ' HD12 ' S' ' 24' ' ' LEU . 2.3 pp -39.02 -33.93 0.14 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.47 73.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.548 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.3 OUTLIER -66.61 -28.87 68.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.509 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -89.17 -19.96 24.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.679 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.49 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 1.6 tp -72.19 -22.17 61.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.49 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 163.38 48.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.722 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 154.25 34.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 110.966 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.491 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.1 Cg_endo -43.56 71.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.248 2.632 . . . . 0.0 112.158 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.722 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.4 OUTLIER -71.05 150.2 94.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.655 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.494 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 11.8 Cg_endo -54.97 -164.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.372 2.715 . . . . 0.0 113.208 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' S' ' 33' ' ' VAL . 4.4 tp10 -96.97 -39.61 9.28 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.85 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.458 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -45.69 -28.74 2.68 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.555 HG12 ' CD2' ' S' ' 29' ' ' LEU . 0.9 OUTLIER -75.62 130.41 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 114.021 -1.09 . . . . 0.0 109.178 177.433 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 18.1 m-20 -97.39 139.43 21.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.379 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.73 -7.13 13.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.165 . . . . 0.0 113.963 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.497 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -115.02 10.67 16.29 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.753 -179.64 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.538 ' HG3' HG12 ' S' ' 40' ' ' ILE . 11.0 pttm -172.55 93.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.088 0.471 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.557 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 2.7 mt -87.45 -49.36 7.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.103 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.441 ' HB2' ' CE1' ' S' ' 47' ' ' PHE . 7.7 pt-20 -39.22 -27.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.538 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.3 pp -73.9 -36.59 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.557 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 0.5 OUTLIER -89.87 27.82 1.48 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.51 119.1 13.93 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.203 178.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.746 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.1 t -60.04 -166.99 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 23.5 p-10 -66.15 -39.45 89.81 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.795 0.438 . . . . 0.0 110.417 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.21 -54.69 25.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.418 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 21.5 t0 -62.83 -30.09 71.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.746 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.27 -48.82 63.99 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.446 178.041 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -56.31 -51.94 66.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.581 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -15.15 60.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.403 ' HB3' HD23 ' S' ' 75' ' ' LEU . . . -100.32 -61.42 1.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.456 HD11 HD13 ' S' ' 75' ' ' LEU . 3.0 mt -108.36 -10.7 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.875 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' S' ' 47' ' ' PHE . 11.5 m-20 70.08 13.42 7.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.603 0.24 . . . . 0.0 110.956 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.612 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -120.65 -160.35 0.83 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.548 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -133.48 154.53 50.74 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.461 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.0 ttp85 -61.99 -29.8 70.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -89.39 -8.78 52.41 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.97 -58.29 2.38 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.507 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 1.6 m-30 -60.94 -32.16 71.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.412 177.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -48.92 -27.35 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.602 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.33 -32.3 7.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.439 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.94 160.2 22.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.782 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.426 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 52.2 Cg_exo -53.59 139.51 66.54 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.312 2.008 . . . . 0.0 111.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.439 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -63.82 -17.51 63.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.012 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.23 -41.54 11.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.426 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -41.97 98.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.79 -39.5 94.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 78.6 t -66.82 -40.48 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.539 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.2 t30 -43.43 -52.65 5.9 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.415 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.3 -35.67 79.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.42 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.501 ' HE2' ' CG ' ' S' ' 76' ' ' PHE . 2.1 mmmm -53.54 -61.09 2.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.94 0.4 . . . . 0.0 110.672 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -64.97 -28.81 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.972 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.7 -34.61 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -25.34 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.674 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.82 5.47 41.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.173 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.469 ' O ' ' C ' ' S' ' 76' ' ' PHE . 2.0 mt -58.27 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.112 0.456 . . . . 0.0 110.307 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.501 ' CG ' ' HE2' ' S' ' 70' ' ' LYS . 1.4 m-85 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.209 -0.9 . . . . 0.0 112.244 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 1.6 ptp . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.726 0.298 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.49 -31.47 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.22 -42.31 13.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -125.39 152.62 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 118.4 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.016 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -133.09 130.45 39.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -77.83 147.43 35.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -124.61 116.26 22.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.515 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 1.4 mp -89.29 134.43 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.293 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -89.85 142.16 28.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.438 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 11.9 Cg_endo -53.47 107.24 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.651 2.234 . . . . 0.0 112.755 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.552 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.1 pp -38.27 -45.66 1.0 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.403 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 -64.16 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.213 0.53 . . . . 0.0 111.034 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.447 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 0.6 OUTLIER -44.56 -20.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.86 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.585 ' HA ' ' HB3' ' S' ' 29' ' ' LEU . 0.1 OUTLIER -115.16 -22.56 9.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.552 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 0.4 OUTLIER -73.95 -8.02 54.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 172.01 40.76 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 111.211 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.645 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.62 140.37 13.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.447 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.645 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 90.9 Cg_exo -40.42 82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.554 2.17 . . . . 0.0 112.035 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.61 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.8 pp -78.14 159.07 76.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.245 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -90.45 -162.05 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.522 2.814 . . . . 0.0 112.892 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . 0.64 ' C ' ' H ' ' S' ' 33' ' ' VAL . 3.0 tt0 -82.31 -172.33 3.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.197 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.36 -1.58 1.45 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.64 ' H ' ' C ' ' S' ' 31' ' ' GLU . 0.9 OUTLIER -126.54 108.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.476 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 9.9 m-20 -109.72 121.57 41.75 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 13.2 Cg_endo -54.15 -20.6 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.876 2.384 . . . . 0.0 113.505 -178.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.8 22.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.741 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.436 ' HG3' ' HB2' ' S' ' 34' ' ' ASP . 17.0 ptpt -178.26 76.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.98 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.525 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.5 mt -87.5 -40.45 14.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.419 ' HA ' HD13 ' S' ' 42' ' ' LEU . 3.2 pt-20 -49.1 -22.21 0.89 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.39 -5.58 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.576 ' OH ' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -131.68 20.89 4.65 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.444 HD13 ' CE2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -129.02 132.06 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.532 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 5.9 t -74.27 -174.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.407 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.5 p30 -61.26 -33.16 73.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.39 -54.03 16.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -63.41 -29.39 70.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.612 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -71.98 -48.51 44.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.487 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.738 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -62.41 -50.44 71.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.34 -45.46 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.648 ' HG ' ' HG3' ' S' ' 70' ' ' LYS . 5.8 mp -89.75 -17.95 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' S' ' 47' ' ' PHE . 23.4 m-20 60.67 18.11 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 0.0 111.447 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.493 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 4.0 tpp -130.75 -158.42 0.89 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.432 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.36 153.65 51.41 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.41 ' HD2' ' CE2' ' S' ' 47' ' ' PHE . 5.8 tpt180 -57.25 -26.35 60.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -9.32 46.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.536 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.05 -53.26 3.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.46 ' CD2' HD21 ' S' ' 51' ' ' LEU . 2.6 m-30 -63.52 -30.78 71.85 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.84 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.403 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.0 m-20 -52.65 -29.19 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.302 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.88 -32.85 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.601 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.412 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.4 OUTLIER -60.96 158.93 30.57 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -52.96 142.27 53.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.446 2.097 . . . . 0.0 111.96 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.456 ' HA ' ' CD ' ' S' ' 66' ' ' GLN . . . -64.26 -17.84 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.946 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.546 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -89.19 -42.12 11.84 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.55 ' O ' ' HB3' ' S' ' 68' ' ' ASN . 0.1 OUTLIER -63.84 -38.06 89.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.456 ' CD ' ' HA ' ' S' ' 63' ' ' ALA . 3.0 pt20 -64.0 -40.84 97.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.478 HG13 ' HG3' ' S' ' 71' ' ' LYS . 44.5 t -70.24 -35.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.55 ' HB3' ' O ' ' S' ' 65' ' ' LYS . 4.9 t-20 -42.86 -62.88 0.9 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.778 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 tp -70.03 -31.4 69.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.585 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.648 ' HG3' ' HG ' ' S' ' 51' ' ' LEU . 2.4 mtmp? -66.67 -31.97 72.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.809 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.478 ' HG3' HG13 ' S' ' 67' ' ' VAL . 14.2 mttt -72.03 -33.93 68.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.351 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.55 -30.68 2.36 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.136 0.493 . . . . 0.0 110.291 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -110.84 -25.06 10.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.282 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.35 49.34 1.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.849 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.517 ' HA ' HD11 ' S' ' 38' ' ' LEU . 1.8 mt -103.9 -85.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.546 0.212 . . . . 0.0 111.409 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.615 ' H ' ' HB3' ' S' ' 70' ' ' LYS . 50.9 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.679 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.832 0.349 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -30.67 70.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -91.01 152.5 20.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -130.76 122.9 28.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.018 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 27.5 t -147.09 144.89 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -75.42 160.95 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.754 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.7 t -110.67 110.7 21.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.173 0.511 . . . . 0.0 111.212 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.611 HD12 ' O ' ' S' ' 19' ' ' TYR . 0.0 OUTLIER -94.02 126.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.611 ' O ' HD12 ' S' ' 18' ' ' ILE . 3.8 m-30 -89.88 131.75 38.46 Favored Pre-proline 0 CA--C 1.531 0.23 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -37.86 110.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.359 2.706 . . . . 0.0 113.354 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.506 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.6 pp -42.67 -29.41 0.3 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.778 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . 0.409 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.04 -46.26 82.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.051 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.456 ' HB3' ' HA ' ' S' ' 29' ' ' LEU . 1.1 m-20 -53.15 -41.24 64.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.006 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.539 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -87.6 -9.54 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.629 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.548 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 10.8 tp -111.77 38.07 2.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 97.27 47.02 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.636 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.91 136.4 10.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.68 178.451 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.636 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 57.2 Cg_exo -32.36 82.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 123.262 2.642 . . . . 0.0 113.2 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.565 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.5 pp -78.48 158.09 76.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.01 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.502 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 69.4 Cg_endo -78.29 -159.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.105 2.537 . . . . 0.0 112.141 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -94.58 -40.26 9.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.619 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.45 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.61 -25.03 6.22 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.511 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.621 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -84.59 112.54 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 114.93 -0.635 . . . . 0.0 110.054 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.3 m-20 -96.52 122.04 58.38 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_endo -55.49 -27.14 57.69 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.811 2.34 . . . . 0.0 113.485 -179.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.501 HD22 ' CG ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -80.92 -9.5 59.82 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.501 ' CG ' HD22 ' S' ' 36' ' ' LEU . 6.3 pttt -157.05 88.87 1.04 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.752 0.311 . . . . 0.0 111.557 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.681 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.85 -38.85 15.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.712 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.451 ' O ' ' CZ ' ' S' ' 47' ' ' PHE . 3.0 pm0 -54.17 -20.06 6.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.411 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.0 pp -83.48 -25.45 7.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.681 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 0.4 OUTLIER -104.5 30.05 5.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.484 ' HA ' HG12 ' S' ' 18' ' ' ILE . 0.3 OUTLIER -135.8 117.14 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.103 179.079 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.69 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.1 p -59.68 -177.95 0.06 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -58.54 -35.48 72.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.933 0.493 . . . . 0.0 111.204 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.22 -54.56 23.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -63.87 -34.68 78.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.232 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.69 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -64.94 -47.2 78.51 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.569 178.468 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.414 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 2.3 mt-10 -59.1 -50.96 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -16.0 58.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.32 -61.57 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' S' ' 75' ' ' LEU . 3.7 mt -107.06 -2.95 20.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.414 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 7.9 m-20 64.21 13.47 7.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.317 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.647 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -123.18 -163.01 1.07 Allowed 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.38 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 54' ' ' THR . . . . . 0.422 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 30.2 p -133.61 158.24 43.7 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.079 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 11.3 ttt-85 -62.53 -29.61 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.11 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.07 -8.9 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . 0.422 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 0.9 OUTLIER -95.07 -58.8 2.05 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.508 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.2 m-30 -59.12 -29.87 67.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.101 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -51.43 -26.9 8.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.212 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.63 -32.63 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.478 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.432 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 3.0 mt -60.77 149.55 79.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.412 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 2.9 Cg_endo -42.38 127.95 4.41 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 123.211 2.607 . . . . 0.0 112.171 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.422 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -63.87 -15.69 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.159 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.31 -43.09 10.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.35 -44.3 97.41 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.427 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.466 HG21 ' CZ ' ' S' ' 76' ' ' PHE . 40.5 t -60.27 -42.91 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.539 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 50.0 t30 -46.03 -32.81 3.01 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.142 0.496 . . . . 0.0 110.441 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -84.79 -43.66 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.091 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.486 ' HB2' ' CD1' ' S' ' 76' ' ' PHE . 23.3 mttt -56.36 -51.77 67.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.669 0.271 . . . . 0.0 110.591 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -70.36 -30.54 67.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.768 0.318 . . . . 0.0 110.786 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -56.29 -31.43 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.087 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -116.81 17.15 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.92 13.87 57.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.961 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.451 HD11 ' HA ' ' S' ' 70' ' ' LYS . 12.5 mt -53.91 -92.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.685 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.486 ' CD1' ' HB2' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.047 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.819 0.343 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.48 -40.1 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.58 -35.7 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.9 148.41 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -132.52 106.34 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.56 137.25 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -135.05 110.29 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -136.19 110.89 8.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.425 HG12 ' CA ' ' S' ' 42' ' ' LEU . 2.8 tp -115.18 164.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.302 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.529 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 7.2 m-30 -89.8 125.65 60.25 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.425 ' O ' ' CD2' ' S' ' 24' ' ' LEU . 1.9 Cg_endo -43.57 133.98 7.21 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.357 2.704 . . . . 0.0 113.622 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.2 pp -49.62 -41.98 43.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.116 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . 0.401 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.82 -45.09 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.142 0.496 . . . . 0.0 109.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.672 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -46.44 -26.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.17 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.524 ' HG ' ' O ' ' S' ' 21' ' ' LEU . 0.1 OUTLIER -113.81 -28.66 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.516 -179.335 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 17.6 tp -72.7 47.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 94.85 46.8 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.167 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.701 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.84 138.68 12.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.229 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.701 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.0 Cg_exo -34.52 79.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.895 2.397 . . . . 0.0 112.678 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.661 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -75.59 158.16 83.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.529 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 71.6 Cg_endo -78.31 -158.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.268 2.645 . . . . 0.0 112.026 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.3 -42.08 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.779 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.455 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.06 -24.21 6.37 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.564 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.524 HG21 ' CE1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -87.15 107.97 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.087 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.442 ' N ' ' CE2' ' S' ' 41' ' ' TYR . 13.9 m-20 -94.76 118.29 66.81 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.37 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.33 -21.61 61.51 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.581 2.187 . . . . 0.0 113.52 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.453 ' N ' HD21 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.78 -11.4 60.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.603 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.442 ' O ' HG12 ' S' ' 40' ' ' ILE . 7.6 ptpt -174.25 113.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.818 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.4 mp -88.11 -40.19 13.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.423 ' O ' ' CZ ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -41.83 -28.07 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.438 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.442 HG12 ' O ' ' S' ' 37' ' ' LYS . 50.4 pt -71.22 -33.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.818 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 6.0 p90 -105.52 43.04 1.16 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.493 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.64 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.442 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.506 ' O ' ' N ' ' S' ' 46' ' ' ASP . 12.8 t -65.18 156.72 30.85 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' S' ' 48' ' ' GLU . 5.0 p-10 -33.29 -35.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.262 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.31 -51.65 42.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' S' ' 43' ' ' THR . 58.5 t0 -68.71 -34.06 74.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.043 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.663 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.1 OUTLIER -69.77 -39.8 76.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.033 179.198 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' S' ' 44' ' ' ASP . 1.6 mt-10 -79.66 -28.97 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.297 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -90.29 -31.47 16.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.464 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 -21.43 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.489 HD23 ' CG ' ' S' ' 70' ' ' LYS . 9.4 mt -135.47 -5.24 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.404 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 1.4 m-20 61.28 13.28 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.346 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.663 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 2.9 tpp -131.52 -166.26 1.69 Allowed 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -133.55 162.17 32.63 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.486 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 17.8 ttt180 -61.65 -25.94 67.69 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.03 -9.05 50.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.13 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.09 -56.2 2.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.463 ' CE1' ' HG2' ' S' ' 53' ' ' MET . 2.7 m-30 -62.93 -29.84 71.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.203 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.474 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -51.49 -29.95 18.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.28 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.61 -34.07 7.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.638 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.78 160.36 20.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -44.06 157.78 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.066 2.51 . . . . 0.0 112.14 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -88.06 -26.6 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.04 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.512 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.49 -45.95 8.63 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.86 -40.95 94.84 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.333 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.462 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.98 -44.02 97.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' S' ' 66' ' ' GLN . 88.8 t -65.03 -40.22 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.512 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 61.1 t30 -41.84 -45.83 3.77 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -79.1 -30.2 43.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.489 ' CG ' HD23 ' S' ' 51' ' ' LEU . 59.0 mttt -56.53 -50.99 70.22 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -61.91 -42.71 99.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.99 -35.24 6.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.733 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -20.18 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.37 16.36 9.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.05 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.5 ' HA ' HD11 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -107.74 -69.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.224 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.639 ' CD1' ' C ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.432 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.946 0.403 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.91 -31.54 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.59 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -109.59 160.47 16.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mp -110.97 114.64 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.43 131.18 29.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.23 113.38 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.7 t -141.7 133.0 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.433 HG12 ' HA ' ' S' ' 42' ' ' LEU . 0.0 OUTLIER -89.77 127.61 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.485 ' CE2' ' HA3' ' S' ' 32' ' ' GLY . 7.2 m-30 -89.91 136.77 28.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.91 109.34 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.883 2.389 . . . . 0.0 112.698 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.512 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.0 OUTLIER -45.46 -35.6 3.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.961 -179.794 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -51.18 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.588 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -55.13 -18.92 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.981 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.715 ' HA ' ' HB3' ' S' ' 29' ' ' LEU . 0.4 OUTLIER -115.64 -25.58 7.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.854 -178.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 38.3 tp -53.95 -18.49 3.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.087 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 167.16 41.4 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.69 155.76 35.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 122.38 -0.2 . . . . 0.0 110.86 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -39.21 69.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.691 2.927 . . . . 0.0 112.986 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.747 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.4 pp -69.06 158.07 87.51 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.085 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.467 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 45.5 Cg_endo -65.59 -163.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.374 2.716 . . . . 0.0 113.089 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.98 -39.21 9.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.485 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.28 -27.02 7.2 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.076 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.447 ' O ' ' CG1' ' S' ' 33' ' ' VAL . 1.2 t -79.14 110.3 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.436 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.422 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 66.5 m-20 -94.72 134.36 25.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.401 ' HA ' HD22 ' S' ' 38' ' ' LEU . 40.3 Cg_endo -67.48 -40.9 9.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.512 2.141 . . . . 0.0 113.556 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.428 ' N ' HD21 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -71.07 -9.47 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.704 0.288 . . . . 0.0 111.714 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.472 ' HB2' ' CD1' ' S' ' 40' ' ' ILE . 0.6 OUTLIER -145.43 87.94 1.83 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.6 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 2.5 mt -87.31 -56.86 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.739 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.542 ' HB3' ' HE3' ' S' ' 70' ' ' LYS . 7.2 pt-20 -50.18 -23.94 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 0.0 110.854 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' S' ' 37' ' ' LYS . 1.9 mp -62.29 -39.12 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.305 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.6 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 0.2 OUTLIER -93.8 29.48 2.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.601 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.538 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -138.21 116.24 11.68 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.461 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.708 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.3 t -59.96 -166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.434 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -67.1 -39.18 86.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.684 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -63.69 -53.19 55.2 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -64.89 -34.42 78.36 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.708 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -63.49 -45.88 88.7 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.283 178.036 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.91 -44.78 82.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.752 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -13.79 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.02 -45.27 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.838 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.528 HD21 ' HG3' ' S' ' 70' ' ' LYS . 3.5 mt -127.85 -1.69 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' S' ' 47' ' ' PHE . 13.7 m-20 60.34 13.95 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.568 0.223 . . . . 0.0 111.205 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.596 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.68 -162.0 0.87 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.648 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 54' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.74 147.23 51.31 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.861 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -56.72 -29.26 62.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 0.0 110.019 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.02 -8.92 56.68 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.777 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 49.4 tt0 -94.22 -62.76 1.28 Allowed 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.452 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.1 m-30 -56.14 -30.59 62.37 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.051 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.57 -24.1 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.423 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.25 -33.43 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.687 0.28 . . . . 0.0 111.525 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.77 160.54 19.24 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.436 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 77.4 Cg_exo -49.2 159.55 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.381 2.054 . . . . 0.0 111.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -87.67 -18.41 29.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.544 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.13 -43.48 10.43 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.577 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.436 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -61.6 -43.81 98.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 3.9 pt20 -62.45 -37.83 87.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.433 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 24.2 t -67.12 -40.92 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.544 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.4 t30 -47.2 -49.9 21.98 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.303 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.41 ' HB3' ' CD2' ' S' ' 51' ' ' LEU . 5.4 tp -70.98 -42.49 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.471 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.542 ' HE3' ' HB3' ' S' ' 39' ' ' GLU . 1.1 mtmp? -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 17.0 mtpt -65.36 -32.49 74.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.068 179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.78 84.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -22.42 22.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.59 -10.25 28.14 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.568 -0.825 . . . . 0.0 114.108 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.417 ' O ' HD12 ' S' ' 38' ' ' LEU . 19.8 mt -56.11 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 118.007 0.904 . . . . 0.0 109.412 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.535 ' CD2' ' HD2' ' S' ' 70' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.368 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 8.5 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 5.0 mp -68.03 -42.53 80.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.07 80.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -77.11 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mp -123.61 158.94 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.51 129.17 52.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 132.88 36.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -107.54 139.41 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.437 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 2.9 mp -89.44 132.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.28 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.457 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 4.9 m-30 -90.63 139.63 26.45 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.423 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.7 Cg_endo -51.84 103.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.793 2.329 . . . . 0.0 112.779 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.496 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.0 OUTLIER -40.26 -38.67 0.82 Allowed 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.216 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.07 -46.36 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.04 0.448 . . . . 0.0 111.447 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -61.92 -17.51 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.829 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.67 ' HA ' ' HB3' ' S' ' 29' ' ' LEU . 0.2 OUTLIER -114.4 -18.99 11.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.622 -178.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 33.7 tp -72.84 -9.79 59.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.04 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 170.42 36.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.696 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.82 154.59 34.89 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.232 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.506 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.0 Cg_endo -43.49 71.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.435 2.757 . . . . 0.0 112.525 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.696 ' N ' ' O ' ' S' ' 27' ' ' ARG . 3.0 pp -69.99 159.0 85.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.974 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.464 ' HD2' ' HB2' ' S' ' 29' ' ' LEU . 51.8 Cg_endo -65.84 -163.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.487 2.791 . . . . 0.0 113.124 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -100.37 -36.41 9.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.014 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.415 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.99 -26.96 6.28 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 119.618 -1.277 . . . . 0.0 109.98 177.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.447 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 1.2 t -79.09 110.38 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.376 -0.912 . . . . 0.0 109.376 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.465 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 53.8 m-20 -91.39 122.99 65.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.521 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -63.47 -28.29 70.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.778 2.319 . . . . 0.0 113.463 -179.167 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.492 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -85.33 5.16 31.82 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.478 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -167.35 90.73 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.174 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.559 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 2.0 mt -87.64 -59.37 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.47 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.4 OUTLIER -41.07 -27.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.478 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -67.26 -32.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.559 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -96.19 28.85 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.492 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.13 121.96 17.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.505 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 7.6 t -63.52 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.986 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.433 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 10.0 p-10 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.884 0.473 . . . . 0.0 110.357 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -64.55 -52.54 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -65.46 -33.15 75.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.664 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -65.65 -45.61 82.32 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.96 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.42 -48.8 71.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.69 -11.15 59.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.739 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.18 -61.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.781 0.324 . . . . 0.0 111.717 -179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.441 ' CD2' ' HA ' ' S' ' 70' ' ' LYS . 2.9 mt -117.08 2.01 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.35 14.04 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.468 0.175 . . . . 0.0 111.457 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.643 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -117.98 -160.52 0.79 Allowed 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.68 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 54' ' ' THR . . . . . 0.411 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.8 OUTLIER -133.82 153.7 51.54 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.69 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.485 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.079 0.466 . . . . 0.0 109.986 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.97 -9.09 54.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.742 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . 0.411 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 4.8 tt0 -94.57 -59.73 1.87 Allowed 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.494 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.7 m-30 -58.91 -29.77 67.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.869 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.485 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.27 -29.89 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.543 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.62 -29.63 7.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.407 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.66 154.81 54.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.744 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.492 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 74.6 Cg_exo -47.26 147.87 5.31 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 111.815 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.433 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -74.35 -18.33 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.995 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.51 -46.2 8.47 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.47 -41.45 97.26 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.492 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 3.7 pt20 -63.19 -41.08 99.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.436 ' HA ' ' HB2' ' S' ' 70' ' ' LYS . 48.0 t -68.12 -39.21 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.181 177.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.526 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.7 t30 -41.68 -53.57 3.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.7 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 tp -78.54 -19.43 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.336 -179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.636 ' HB3' ' C ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -69.2 -49.23 58.43 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.139 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.42 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 31.6 mtmt -62.28 -45.5 92.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.768 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.08 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.678 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.92 -18.0 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.242 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.19 -8.83 29.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.975 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.585 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.7 OUTLIER -85.37 -69.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.636 ' C ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.5 mp -64.08 -20.56 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.65 -48.68 69.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -113.96 135.59 53.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 69.6 mt -109.79 160.04 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.83 143.09 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.098 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -134.32 149.4 50.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -134.97 110.57 9.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.217 0.532 . . . . 0.0 111.431 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.572 HG12 ' HA ' ' S' ' 42' ' ' LEU . 0.0 OUTLIER -90.44 124.91 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.937 179.702 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.566 ' O ' HD12 ' S' ' 18' ' ' ILE . 4.9 m-30 -89.7 130.02 44.63 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -38.75 112.75 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.249 2.633 . . . . 0.0 113.202 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -39.6 -34.35 0.23 Allowed 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.838 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . 0.406 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -61.69 -47.72 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.002 0.429 . . . . 0.0 110.169 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' S' ' 29' ' ' LEU . 0.7 OUTLIER -51.78 -42.47 62.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.13 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.534 ' HG ' ' O ' ' S' ' 21' ' ' LEU . 0.1 OUTLIER -86.78 -22.45 25.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.469 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 0.2 OUTLIER -98.5 43.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.347 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 93.05 50.57 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.58 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.99 132.94 8.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 178.089 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.58 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 48.8 Cg_exo -34.53 83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.141 2.561 . . . . 0.0 112.974 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.619 ' HB3' ' HB3' ' S' ' 23' ' ' ASP . 0.4 OUTLIER -90.77 157.65 43.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.373 -178.863 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.474 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 72.6 Cg_endo -72.97 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.907 2.404 . . . . 0.0 111.016 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.5 -16.51 17.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.653 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.539 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -53.36 -23.49 18.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.4 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.616 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 12.1 m -86.13 108.93 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 115.456 -0.372 . . . . 0.0 110.719 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.43 ' HA ' ' HD2' ' S' ' 35' ' ' PRO . 5.9 m-20 -81.54 107.52 8.33 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.457 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 10.0 Cg_endo -52.19 -26.97 28.21 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.606 2.204 . . . . 0.0 113.456 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.435 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.15 -12.39 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.63 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.432 ' N ' ' CD2' ' S' ' 36' ' ' LEU . 4.3 ptpp? -171.99 104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 109.734 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.614 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 5.9 mt -88.06 -46.61 9.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.465 ' HB3' ' HD2' ' S' ' 70' ' ' LYS . 0.0 OUTLIER -39.7 -27.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.412 HG12 ' O ' ' S' ' 37' ' ' LYS . 45.5 pt -67.25 -29.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.616 ' CD2' ' HA ' ' S' ' 33' ' ' VAL . 2.6 p90 -103.85 30.65 4.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.572 ' HA ' HG12 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -134.27 115.55 14.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.739 178.397 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.8 p -60.52 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.314 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.457 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 4.6 p-10 -62.7 -32.9 74.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.3 -50.45 60.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -67.61 -34.03 76.18 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.56 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.3 OUTLIER -66.63 -43.38 84.87 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.118 178.226 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.13 -39.58 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.921 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -22.15 18.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.418 ' O ' ' HG2' ' S' ' 73' ' ' LYS . . . -100.12 -14.12 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' S' ' 58' ' ' TYR . 11.6 mt -149.76 -6.86 0.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.55 13.33 7.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 5.6 tpp -126.73 -159.17 0.91 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.563 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.1 p -133.57 156.7 47.35 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.51 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 4.8 ttm180 -60.93 -27.12 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.86 -9.24 54.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.13 -57.02 2.54 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.504 ' CE2' HD13 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.58 -26.04 67.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.111 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.468 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.1 OUTLIER -53.85 -31.2 48.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.379 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.24 -26.84 7.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.422 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.58 156.1 45.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.658 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.408 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 3.6 Cg_exo -40.27 159.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.251 2.634 . . . . 0.0 112.203 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.449 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -88.22 -26.36 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.896 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.49 -45.32 9.03 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -41.36 97.27 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.464 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.4 pt20 -62.93 -41.47 99.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 53.1 t -67.06 -41.03 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.153 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.547 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.2 t30 -41.34 -49.37 3.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.131 0.491 . . . . 0.0 111.227 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.492 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 4.6 mm? -72.3 -34.21 67.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.421 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.791 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.2 mtpt -63.22 -53.52 51.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.59 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.433 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 24.5 mttt -57.43 -34.76 69.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.269 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' S' ' 50' ' ' ALA . 0.0 OUTLIER -107.22 -18.67 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.638 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.25 35.01 2.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.122 179.447 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.5 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -139.22 -68.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 109.996 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.791 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.207 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.29 -31.35 15.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.33 69.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 9.7 mmtt -100.92 174.74 5.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 9.5 mp -130.24 105.27 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 92.9 m -137.75 123.62 20.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.9 114.89 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 89.4 m -106.72 149.27 27.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.509 HG13 ' CG2' ' S' ' 43' ' ' THR . 30.3 mm -89.6 118.58 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.073 0.463 . . . . 0.0 111.766 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.435 ' N ' ' HD1' ' S' ' 19' ' ' TYR . 2.6 m-30 -90.09 148.04 38.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.424 ' O ' HD21 ' S' ' 24' ' ' LEU . 10.2 Cg_endo -53.41 110.24 0.46 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.26 -178.322 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.463 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -41.21 -41.64 1.89 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.14 85.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 110.271 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.77 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 10.1 m-20 -60.25 -43.05 96.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.084 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.607 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -83.73 -16.1 46.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.551 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 17.5 tp -85.21 -9.29 57.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 161.58 43.21 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.77 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.9 143.89 16.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.697 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.686 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.6 Cg_exo -41.22 79.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.473 2.115 . . . . 0.0 112.047 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -75.94 159.15 81.44 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.9 -179.181 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.1 -153.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.239 2.626 . . . . 0.0 112.805 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -44.92 5.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.093 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.422 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -47.68 -28.15 5.01 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.841 -1.171 . . . . 0.0 110.222 178.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.545 HG22 ' CE1' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -79.14 108.8 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 114.594 -0.803 . . . . 0.0 109.428 178.137 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.431 ' HB3' HD12 ' S' ' 36' ' ' LEU . 3.1 m-20 -76.95 133.38 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -74.94 -0.32 9.8 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.517 2.144 . . . . 0.0 113.494 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.476 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -130.31 13.9 5.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.412 ' HG2' ' CB ' ' S' ' 34' ' ' ASP . 22.1 pttt -167.96 86.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.052 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.705 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -87.52 -39.84 14.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.622 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.435 ' HB2' ' CZ ' ' S' ' 47' ' ' PHE . 2.1 pt-20 -45.14 -25.71 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.612 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -79.61 -21.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.705 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 7.7 p90 -115.86 33.47 5.48 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.0 115.86 11.52 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.774 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.509 ' CG2' HG13 ' S' ' 18' ' ' ILE . 0.7 OUTLIER -60.04 157.95 11.95 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.67 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' S' ' 48' ' ' GLU . 1.9 p30 -37.59 -32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.47 0.708 . . . . 0.0 112.082 -179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.64 -52.91 18.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' S' ' 43' ' ' THR . 15.1 t0 -68.01 -27.03 66.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.793 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.603 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.1 OUTLIER -75.22 -43.62 50.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.205 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' S' ' 44' ' ' ASP . 3.4 mt-10 -69.92 -45.69 66.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.712 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -20.33 57.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.35 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.418 HD22 ' N ' ' S' ' 70' ' ' LYS . 4.9 mt -101.11 -6.83 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.41 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 18.5 m-20 65.95 13.34 9.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.603 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -133.02 -177.89 4.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.04 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 54' ' ' THR . . . . . 0.485 ' CG2' ' HB2' ' S' ' 57' ' ' GLU . 2.7 t -132.64 162.38 31.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.492 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.511 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.1 OUTLIER -55.49 -24.2 30.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.12 -9.19 43.44 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.736 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . 0.485 ' HB2' ' CG2' ' S' ' 54' ' ' THR . 0.0 OUTLIER -95.54 -54.33 3.41 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.688 0.756 . . . . 0.0 109.108 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.43 ' HA ' ' HB2' ' S' ' 61' ' ' LEU . 1.2 m-30 -66.82 -34.35 77.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.022 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.511 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -41.02 -32.21 0.23 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.92 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.68 -33.9 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.43 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.4 OUTLIER -60.78 140.14 93.26 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.84 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_exo -37.21 136.95 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.128 2.552 . . . . 0.0 112.537 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.412 ' O ' HG21 ' S' ' 67' ' ' VAL . . . -62.03 -17.48 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.097 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.533 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.09 -40.54 12.21 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.591 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -44.61 96.34 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.523 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.423 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.4 pt20 -60.48 -42.16 95.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.493 ' CG2' ' CZ ' ' S' ' 76' ' ' PHE . 2.6 t -64.13 -41.09 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.533 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.8 t30 -42.92 -40.65 3.04 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -80.57 -50.2 10.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.787 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.558 ' HB2' ' CD1' ' S' ' 76' ' ' PHE . 11.4 mttt -50.28 -59.85 3.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.429 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.442 ' HG3' ' CE1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -68.21 -30.71 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -179.454 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' S' ' 68' ' ' ASN . . . -59.26 -32.88 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.967 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.95 5.0 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.265 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.15 66.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.336 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 12.4 mt -78.35 -87.44 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.257 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.817 0.341 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.54 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.59 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.243 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.92 160.1 28.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.54 150.92 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -138.83 122.8 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.23 146.88 38.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 10.4 t -130.15 115.33 16.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' S' ' 19' ' ' TYR . 0.5 OUTLIER -89.82 158.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.52 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 3.0 m-30 -89.44 138.23 28.59 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 10.6 Cg_endo -54.18 112.94 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.957 2.438 . . . . 0.0 113.145 -178.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -42.28 -41.96 2.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.363 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.45 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.893 0.378 . . . . 0.0 111.399 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.536 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -61.75 -36.02 79.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.163 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.58 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -88.2 -19.5 26.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.11 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . . . . . . . . . 17.3 tp -84.0 -6.16 59.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 174.22 33.7 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.54 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.64 150.66 28.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.398 179.116 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.488 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 9.4 Cg_endo -51.77 78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.872 2.381 . . . . 0.0 111.831 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.54 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -75.58 158.95 82.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.197 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.52 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.7 Cg_endo -60.4 -161.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.873 2.382 . . . . 0.0 111.47 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -101.22 -14.36 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.42 -23.17 12.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.105 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.52 ' HB ' ' CE2' ' S' ' 41' ' ' TYR . 31.0 m -89.32 127.94 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.927 -0.636 . . . . 0.0 110.779 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.44 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -99.54 108.37 50.35 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.647 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.437 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 1.3 Cg_endo -43.89 -36.17 7.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.714 2.276 . . . . 0.0 113.36 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -73.05 -8.82 57.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.494 ' HG3' ' O ' ' S' ' 37' ' ' LYS . 0.4 OUTLIER -157.53 101.54 1.85 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.993 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.748 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 10.2 mt -87.84 -55.4 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.885 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.641 ' H ' ' HE3' ' S' ' 70' ' ' LYS . 18.4 pt-20 -38.95 -28.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -64.06 -33.11 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.527 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.748 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 34.6 p90 -103.61 36.44 2.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.465 ' CD2' ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.6 126.32 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.715 178.239 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.704 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -61.04 -172.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.076 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.6 p30 -64.58 -36.82 85.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.58 -52.87 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 21.0 t0 -63.73 -28.92 70.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.704 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -69.49 -49.91 50.3 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.202 178.004 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -58.72 -41.3 86.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.873 -179.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -82.88 -11.13 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.402 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -93.68 -61.17 1.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.819 0.342 . . . . 0.0 111.448 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.51 HD21 ' HD2' ' S' ' 70' ' ' LYS . 4.7 mp -124.05 0.09 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 69.12 13.23 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.736 -178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.53 ' HG2' ' CD1' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -115.02 -159.81 0.72 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.608 179.346 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.6 p -133.07 173.7 11.14 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.975 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.2 ttt180 -76.75 -32.94 58.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.036 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -89.05 -8.55 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.818 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -93.88 -55.8 3.1 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 1.3 m-30 -63.4 -30.29 71.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.301 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.47 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.5 OUTLIER -53.87 -26.68 25.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.263 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.73 -32.57 5.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 111.355 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.423 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 19.0 mt -60.75 161.72 14.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.417 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 1.1 Cg_endo -45.99 151.49 1.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.02 2.48 . . . . 0.0 112.269 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.429 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -85.59 -18.15 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.89 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.51 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.25 -42.24 11.11 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.411 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.43 -44.94 96.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.415 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.14 -35.69 81.12 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.491 HG21 ' CZ ' ' S' ' 76' ' ' PHE . 6.2 t -66.35 -42.12 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.51 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 39.2 t30 -46.43 -32.52 3.32 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.441 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.429 ' CB ' HD23 ' S' ' 51' ' ' LEU . 2.8 mm? -83.71 -46.82 11.85 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.641 ' HE3' ' H ' ' S' ' 39' ' ' GLU . 0.1 OUTLIER -58.65 -53.57 56.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -60.39 -40.14 89.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.29 81.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -89.8 -25.21 21.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.685 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.87 1.32 30.36 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.385 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . . . . . . . . . 20.3 mt -60.62 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 117.308 0.554 . . . . 0.0 109.904 179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.607 ' H ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.375 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.881 0.372 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -93.0 -44.32 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -99.56 164.84 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -105.79 132.65 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 p -103.34 125.23 49.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -84.15 133.07 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -99.92 110.91 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.404 HG12 ' O ' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -96.85 167.65 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.541 ' CD2' ' CG ' ' S' ' 30' ' ' PRO . 7.7 m-30 -89.71 124.93 62.73 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.415 ' O ' HD23 ' S' ' 24' ' ' LEU . 1.2 Cg_endo -45.06 137.94 9.44 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.266 2.644 . . . . 0.0 113.614 -178.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.428 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -48.78 -47.03 42.3 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.749 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.66 73.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.043 0.449 . . . . 0.0 110.864 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.821 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -47.58 -23.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.331 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.454 HD21 ' CD1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -115.36 -28.95 6.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.011 0.434 . . . . 0.0 111.512 -179.331 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.426 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 18.8 tp -70.42 -26.29 63.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 167.02 45.8 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.821 ' HD2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 140.16 13.68 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 119.605 -0.236 . . . . 0.0 110.408 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.625 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 88.5 Cg_exo -19.53 78.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.887 3.058 . . . . 0.0 113.272 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.1 pp -73.19 148.75 88.97 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.694 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.541 ' CG ' ' CD2' ' S' ' 19' ' ' TYR . 39.0 Cg_endo -85.52 -158.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.627 2.885 . . . . 0.0 112.261 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.36 -37.02 10.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.64 -22.93 12.54 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 119.526 -1.321 . . . . 0.0 110.19 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.505 HG23 ' CE1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -86.97 108.3 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.292 178.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.429 ' HB3' HD11 ' S' ' 36' ' ' LEU . 16.1 m-20 -92.53 121.26 66.61 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.334 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.423 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 28.6 Cg_endo -62.87 -20.91 72.55 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.641 2.227 . . . . 0.0 114.319 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.51 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -63.17 -15.68 57.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.534 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.51 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -176.85 121.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.518 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.795 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.8 mp -87.71 -41.22 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.535 ' HB3' ' HD2' ' S' ' 70' ' ' LYS . 0.9 OUTLIER -39.91 -27.95 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.485 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.6 pt -67.54 -30.8 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.795 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 3.9 p90 -111.45 41.13 1.94 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.519 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -138.85 115.85 10.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.294 177.62 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 13.3 p -60.25 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.181 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.418 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.3 p-10 -64.25 -36.56 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.42 -47.88 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.425 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 21.5 t0 -66.49 -31.88 72.88 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.574 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.4 OUTLIER -69.24 -46.43 67.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.746 177.869 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.4 -37.39 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.02 -25.68 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -51.55 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.553 HD21 ' N ' ' S' ' 70' ' ' LYS . 1.4 mp -141.51 8.99 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 64.59 14.8 9.25 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.574 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -113.45 -161.35 0.76 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.94 152.22 51.77 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.512 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 6.9 tpt180 -58.63 -24.41 61.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.704 -0.398 . . . . 0.0 109.984 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.31 -9.49 50.31 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.352 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -95.18 -55.82 2.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.485 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.27 -29.16 69.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.005 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.463 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.9 m-20 -55.23 -24.0 25.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.163 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.78 -31.34 6.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.617 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.426 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.5 OUTLIER -60.76 167.01 3.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.427 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 50.9 Cg_exo -52.69 162.6 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.394 2.063 . . . . 0.0 111.924 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.44 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -87.56 -24.42 24.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.517 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.547 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -43.51 10.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.437 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.75 -40.77 93.68 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.543 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.484 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.81 -44.87 95.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.46 ' HA ' ' HB2' ' S' ' 70' ' ' LYS . 74.6 t -63.73 -38.33 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.547 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -41.79 -56.84 2.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.879 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -72.42 -21.11 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.389 -179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.856 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -66.96 -54.74 18.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 110.204 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.421 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 6.4 mttt -59.28 -33.22 70.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.268 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.91 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.514 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -14.47 34.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.43 -10.99 28.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.625 -0.797 . . . . 0.0 113.586 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.553 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -81.26 -71.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.856 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.213 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.89 -45.99 39.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.0 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -75.27 124.25 26.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 mt -116.37 126.8 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -135.73 125.62 25.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.94 115.75 13.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -126.89 158.18 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.461 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 1.5 mp -89.44 133.53 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.312 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.581 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 10.3 m-85 -97.58 136.64 21.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.865 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.4 Cg_endo -48.1 119.26 3.78 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.845 2.364 . . . . 0.0 112.549 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.465 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 0.9 OUTLIER -46.83 -41.01 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.113 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.23 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.303 0.573 . . . . 0.0 110.813 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.4 OUTLIER -49.2 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.38 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.657 HD12 ' CE1' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -115.09 -25.12 8.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.861 0.363 . . . . 0.0 111.729 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 18.5 tp -68.34 -9.5 48.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 170.12 42.2 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.881 0.372 . . . . 0.0 111.269 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.713 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.7 tmt_? -150.63 143.45 16.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.713 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 91.7 Cg_exo -42.13 83.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.425 2.083 . . . . 0.0 112.04 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.592 ' N ' ' O ' ' S' ' 27' ' ' ARG . 3.1 pp -79.43 155.76 76.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.589 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.581 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 65.8 Cg_endo -69.23 -162.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.773 2.982 . . . . 0.0 113.262 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -97.36 -37.79 9.89 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.456 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.76 -28.08 5.09 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.493 ' O ' ' CG1' ' S' ' 33' ' ' VAL . 1.0 OUTLIER -75.48 109.11 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.094 177.504 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.454 ' HB3' ' HG2' ' S' ' 37' ' ' LYS . 15.0 m-20 -86.76 141.99 34.17 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.809 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.78 -43.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.73 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.547 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.3 OUTLIER -78.63 -2.75 40.56 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.82 0.343 . . . . 0.0 111.607 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.547 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -158.47 87.86 0.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.363 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.641 ' HB3' ' CZ ' ' S' ' 41' ' ' TYR . 1.9 mp -87.3 -53.05 5.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.825 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.435 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.5 OUTLIER -41.12 -29.65 0.13 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.187 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -29.66 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.657 ' CE1' HD12 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -86.17 9.75 16.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.464 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -127.37 127.62 44.51 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.247 -179.167 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.707 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -64.09 -170.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 178.551 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.495 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 32.0 p-10 -67.43 -36.18 80.72 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.877 0.471 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.92 -53.42 46.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -64.86 -35.07 79.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.707 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.26 -46.07 90.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.269 177.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.402 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.7 mt-10 -56.74 -51.67 67.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.729 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -79.83 -12.41 59.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 -60.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.461 ' CD2' ' HA ' ' S' ' 70' ' ' LYS . 5.6 mt -110.9 -6.68 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 14.8 m-20 67.94 13.45 9.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.58 0.229 . . . . 0.0 111.076 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.656 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.26 -160.14 0.91 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.48 155.11 50.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 28.5 ttm180 -59.39 -26.64 65.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.06 -9.08 44.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.242 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.0 -52.66 4.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.509 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -67.44 -30.48 70.23 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.129 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.92 -31.81 18.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.457 179.793 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.83 -32.05 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.595 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.471 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 18.6 mt -60.78 162.13 13.02 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.435 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 3.7 Cg_endo -48.27 159.22 0.77 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.943 2.428 . . . . 0.0 111.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.423 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -87.92 -22.46 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.52 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.21 -46.15 8.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -62.01 -42.21 98.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.509 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.68 -39.14 93.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 28.3 t -69.63 -39.94 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.52 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 59.0 t30 -41.13 -52.98 3.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 7.6 tp -75.55 -26.1 57.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.266 -179.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.682 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.782 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.452 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 83.5 mttt -55.72 -48.19 75.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.605 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.84 -25.99 8.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.406 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.79 -19.62 24.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -6.81 28.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.601 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.7 OUTLIER -90.81 -68.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.723 0.297 . . . . 0.0 110.277 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.682 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.493 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 27.7 mtm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.96 -30.12 64.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.78 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -110.81 132.54 54.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' S' ' 14' ' ' LEU . 0.3 OUTLIER -124.43 121.32 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 m -119.95 139.59 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.45 157.45 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 9.1 t -132.37 131.8 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.481 ' CD1' ' N ' ' S' ' 18' ' ' ILE . 1.1 mp -89.35 142.06 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.523 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 4.6 m-30 -89.94 141.62 28.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.441 ' O ' HD22 ' S' ' 24' ' ' LEU . 1.6 Cg_endo -45.38 108.03 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.148 2.565 . . . . 0.0 113.049 -178.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.528 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.1 pp -38.31 -35.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.87 -47.22 85.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.514 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -53.98 -44.39 70.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.09 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.528 ' HG ' ' O ' ' S' ' 21' ' ' LEU . 0.1 OUTLIER -84.48 -15.1 47.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.334 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.534 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 11.4 tp -105.33 38.83 1.86 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 96.46 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.57 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.87 134.5 9.08 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 178.192 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.57 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.5 Cg_exo -30.77 85.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.237 2.625 . . . . 0.0 112.925 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -81.44 159.13 67.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.116 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 62.9 Cg_endo -80.03 -159.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.053 2.502 . . . . 0.0 111.839 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -92.86 -40.98 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.698 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.493 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.18 -26.68 6.6 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.44 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.487 HG23 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -80.65 108.79 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 114.893 -0.654 . . . . 0.0 109.462 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.2 m-20 -84.92 135.48 39.82 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -75.23 -1.28 11.07 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.524 2.149 . . . . 0.0 113.642 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.5 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -121.11 16.13 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.4 ' O ' ' CG ' ' S' ' 37' ' ' LYS . 19.5 pttt -172.02 82.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.133 0.492 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.629 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.04 -49.29 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.535 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.502 ' HA ' ' CD1' ' S' ' 42' ' ' LEU . 2.9 pt-20 -45.01 -28.23 0.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.3 0.572 . . . . 0.0 110.188 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -43.91 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.231 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.629 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 3.9 p90 -100.33 36.48 1.87 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.502 ' CD1' ' HA ' ' S' ' 39' ' ' GLU . 0.4 OUTLIER -138.26 129.18 26.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.605 178.41 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.71 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -65.62 -174.08 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.847 178.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.1 p-10 -63.89 -34.95 79.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.97 -53.97 26.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.437 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 51.1 t0 -64.07 -32.65 74.29 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.71 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -65.53 -48.24 73.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.302 178.075 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.52 -36.98 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -16.12 36.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -83.52 -61.22 1.89 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.711 0.291 . . . . 0.0 111.338 -179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.566 HD22 ' CA ' ' S' ' 70' ' ' LYS . 1.6 mp -132.49 14.69 4.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.388 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.41 13.91 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.473 0.178 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.624 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -114.9 -167.18 1.19 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -133.47 160.97 35.83 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.453 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 9.1 ttt180 -60.8 -26.62 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.25 -9.03 43.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.44 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -48.87 6.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.446 ' CE1' ' HG2' ' S' ' 53' ' ' MET . 2.4 m-30 -72.68 -29.67 63.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.736 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.453 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -48.8 -22.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.651 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.74 -37.08 5.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 111.252 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.97 162.17 13.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.729 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.473 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 49.0 Cg_exo -54.3 164.15 3.01 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.191 1.927 . . . . 0.0 111.697 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.447 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -84.28 -24.14 30.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.865 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.505 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.44 -41.04 11.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.511 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.473 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -58.79 -40.32 83.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.443 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.1 pt20 -64.79 -42.34 95.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.495 HG23 ' CE2' ' S' ' 76' ' ' PHE . 62.5 t -62.46 -40.23 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.505 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.1 t30 -40.85 -55.04 2.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.106 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.442 ' HB3' ' HB3' ' S' ' 51' ' ' LEU . 6.4 tp -69.46 -25.62 64.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.845 ' HG3' ' HB2' ' S' ' 75' ' ' LEU . 2.3 tptm -61.06 -68.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 28.1 mttt -47.24 -34.22 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.525 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.41 65.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -99.22 -25.56 14.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.686 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.35 16.89 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.614 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.845 ' HB2' ' HG3' ' S' ' 70' ' ' LYS . 1.0 OUTLIER -79.42 -81.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.288 0.544 . . . . 0.0 110.506 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.573 ' H ' ' CG ' ' S' ' 70' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.265 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.8 mtm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.88 0.372 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -71.59 -42.46 67.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.17 -48.98 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.23 157.86 32.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.59 126.53 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 m -99.74 157.62 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.15 133.6 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -100.96 122.37 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.475 HG12 ' HB ' ' S' ' 43' ' ' THR . 1.5 mp -89.57 147.3 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.238 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.574 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 2.9 m-85 -97.82 138.56 21.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.013 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -51.94 115.06 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.058 2.505 . . . . 0.0 113.268 -178.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.524 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.3 OUTLIER -42.29 -41.06 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.417 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -52.35 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 0.0 111.511 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.619 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -61.32 -31.34 71.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.609 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -90.93 -22.89 20.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.842 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 22.3 tp -69.35 -18.08 63.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . . . . . . . . . . . 170.33 45.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.732 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.87 154.23 34.32 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.961 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.524 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.3 Cg_endo -43.67 71.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.225 2.617 . . . . 0.0 111.882 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.732 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.2 pp -71.56 153.79 93.48 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.303 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.574 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.5 Cg_endo -59.92 -163.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.96 3.107 . . . . 0.0 113.267 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' S' ' 33' ' ' VAL . 3.5 tt0 -101.08 -37.81 8.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.64 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.41 -27.41 4.1 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.546 HG22 ' CD1' ' S' ' 41' ' ' TYR . 1.2 t -74.95 117.55 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.146 -1.027 . . . . 0.0 109.139 177.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.401 ' HB3' ' CD2' ' S' ' 36' ' ' LEU . 0.6 OUTLIER -95.07 128.57 38.45 Favored Pre-proline 0 C--N 1.324 -0.517 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.853 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 61.1 Cg_endo -73.0 -21.53 20.63 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.507 2.138 . . . . 0.0 113.287 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.429 HD23 ' CG ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -75.37 -14.41 60.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 111.659 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.429 ' CG ' HD23 ' S' ' 36' ' ' LEU . 0.3 OUTLIER -173.75 114.41 0.21 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.717 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 3.2 mt -87.42 -38.22 16.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.481 ' HB3' ' HD2' ' S' ' 70' ' ' LYS . 2.5 pt-20 -43.49 -25.02 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.427 ' CG2' ' HG3' ' S' ' 37' ' ' LYS . 2.0 pp -69.92 -27.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.717 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 22.8 p90 -109.24 39.71 2.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.493 HD11 ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.61 115.52 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.487 ' O ' ' N ' ' S' ' 46' ' ' ASP . 1.8 t -60.68 154.8 20.54 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' S' ' 48' ' ' GLU . 4.0 p-10 -33.9 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.698 0.799 . . . . 0.0 112.295 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -66.99 -52.99 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' S' ' 43' ' ' THR . 58.6 t0 -68.59 -33.55 74.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.777 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.493 ' CG ' HD11 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -66.21 -42.34 88.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.544 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 44' ' ' ASP . 4.6 mt-10 -69.46 -35.97 76.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -84.71 -14.26 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -90.36 -61.21 1.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.388 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.62 HD22 ' N ' ' S' ' 70' ' ' LYS . 3.5 mp -125.81 5.55 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.441 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.97 13.47 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.465 0.174 . . . . 0.0 110.676 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.498 ' HG2' ' CE1' ' S' ' 58' ' ' TYR . 3.4 tpp -112.67 -169.25 1.44 Allowed 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 166.6 22.05 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.447 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 21.9 ttt180 -65.8 -31.43 72.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.347 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -8.87 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.901 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -95.3 -57.64 2.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.498 ' CE1' ' HG2' ' S' ' 53' ' ' MET . 1.2 m-30 -62.04 -28.88 69.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.447 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -50.68 -25.81 4.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.306 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.93 -33.37 5.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.707 0.289 . . . . 0.0 111.623 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.435 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 9.2 mt -60.81 165.06 6.38 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.412 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 62.4 Cg_exo -50.17 157.55 2.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.174 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.461 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -86.15 -19.35 30.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.531 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.9 -46.07 8.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -58.19 -42.71 86.71 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.457 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -64.16 -44.17 92.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.485 ' HA ' ' HB2' ' S' ' 70' ' ' LYS . 50.6 t -60.88 -39.17 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.531 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.7 t30 -43.56 -57.57 3.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.451 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.718 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.774 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -75.43 -49.1 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 54.9 mttt -61.53 -39.99 93.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.59 179.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -32.0 59.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.407 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.0 -23.2 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.33 17.74 8.58 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.762 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.569 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.2 OUTLIER -107.56 -69.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.118 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.774 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.733 0.302 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.55 -40.64 72.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.14 -41.66 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -69.37 116.3 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.53 154.21 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -145.41 154.83 42.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 126.55 34.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 60.4 m -92.97 110.87 22.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.432 HG23 ' CA ' ' S' ' 42' ' ' LEU . 2.5 pt -93.87 158.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.496 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.528 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 7.3 m-30 -89.85 139.66 27.68 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' S' ' 23' ' ' ASP . 1.7 Cg_endo -45.68 100.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.925 2.417 . . . . 0.0 113.39 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.452 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.7 OUTLIER -37.1 -32.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 110.878 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' S' ' 27' ' ' ARG . 4.1 m-20 -70.03 -22.81 63.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.539 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -95.42 -11.84 26.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.241 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 12.3 tp -99.38 2.67 45.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 164.51 44.34 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.498 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.645 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.2 tmt_? -150.77 145.39 18.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.037 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.645 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 19.0 Cg_endo -57.53 64.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.634 2.222 . . . . 0.0 111.851 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' S' ' 27' ' ' ARG . 1.1 pt? -65.09 159.22 66.75 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.612 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.528 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 63.2 Cg_endo -71.35 -161.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.042 2.495 . . . . 0.0 112.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.88 -11.11 20.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.957 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.501 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.72 -24.97 13.98 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.048 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.518 ' HA ' ' CD2' ' S' ' 41' ' ' TYR . 17.0 m -82.44 108.94 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.875 -0.662 . . . . 0.0 110.274 178.455 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.454 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 3.0 m-20 -81.91 105.41 4.44 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 2.2 Cg_endo -42.52 -47.05 7.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.034 2.489 . . . . 0.0 113.752 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.487 HD21 ' CG ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -63.04 -15.59 57.02 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.331 -179.574 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.571 ' HA ' ' CD2' ' S' ' 76' ' ' PHE . 27.6 pttt -149.57 100.09 2.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.507 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.611 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 1.1 mt -87.12 -46.67 9.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.496 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.494 ' HA ' ' CD1' ' S' ' 42' ' ' LEU . 3.6 pt-20 -42.05 -24.95 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.407 ' CD1' ' HG3' ' S' ' 37' ' ' LYS . 18.2 pt -60.13 -38.04 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.611 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 38.6 p90 -103.61 36.54 2.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.494 ' CD1' ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.61 124.17 19.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.672 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 7.9 t -66.93 -168.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.06 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.419 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -66.5 -37.8 85.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.94 -52.53 55.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.443 ' OD2' ' HB3' ' S' ' 42' ' ' LEU . 56.7 t0 -64.84 -35.37 80.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.672 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -64.09 -45.92 86.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.084 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 6.0 mt-10 -60.34 -35.84 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.812 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -24.31 30.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -77.37 -60.94 2.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 -179.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -133.29 8.11 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.436 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.465 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 14.7 m-20 66.62 15.11 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.589 0.233 . . . . 0.0 110.842 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.478 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -105.52 -166.23 1.19 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.675 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 158.1 44.04 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.623 0.249 . . . . 0.0 110.805 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 7.5 ttm180 -61.26 -29.76 70.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.029 0.442 . . . . 0.0 109.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -88.99 -8.39 54.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.787 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.85 -54.79 3.48 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.679 0.752 . . . . 0.0 109.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.505 ' CE2' ' CD2' ' S' ' 51' ' ' LEU . 1.4 m-30 -68.25 -26.63 65.78 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.859 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.2 OUTLIER -48.55 -27.22 2.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.532 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.62 -28.92 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.62 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.491 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.2 OUTLIER -60.69 151.63 70.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.799 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.412 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 4.3 Cg_exo -41.33 142.8 0.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.275 2.65 . . . . 0.0 112.214 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.439 ' O ' ' CG1' ' S' ' 67' ' ' VAL . . . -74.33 -19.14 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.593 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.39 -42.78 10.72 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -63.19 -37.77 88.55 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.693 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.412 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 3.8 pt20 -65.23 -42.03 93.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.547 HG22 ' O ' ' S' ' 64' ' ' TRP . 3.2 m -69.46 -37.75 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.593 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 66.6 t30 -42.24 -41.54 2.77 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.853 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.639 ' HB3' ' HB3' ' S' ' 51' ' ' LEU . 0.8 OUTLIER -79.52 -45.61 18.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.486 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.78 ' HB3' ' H ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -68.36 -32.96 73.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.792 0.33 . . . . 0.0 110.457 -179.476 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 2.3 mtpt -64.58 -39.95 94.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.948 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.11 70.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.484 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -89.9 -25.29 21.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.41 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.43 24.16 7.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.533 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.49 ' CD1' ' HG2' ' S' ' 70' ' ' LYS . 4.2 mt -94.39 -82.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.78 ' H ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.854 0.359 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.89 -38.08 70.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.63 -57.1 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.321 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -127.98 175.01 8.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -129.69 149.38 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -138.99 150.36 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -93.53 129.15 39.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -130.94 127.59 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.656 HG21 ' HA ' ' S' ' 42' ' ' LEU . 5.1 mp -89.28 142.98 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-O 121.179 0.514 . . . . 0.0 111.856 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.509 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 8.0 m-30 -92.75 134.41 27.71 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -49.0 115.51 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.9 2.4 . . . . 0.0 113.353 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.473 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.9 OUTLIER -40.84 -32.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.074 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.58 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.144 0.497 . . . . 0.0 110.558 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.647 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 2.6 m-20 -61.14 -24.59 66.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.184 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.575 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -102.32 -9.86 20.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.543 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.445 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 11.6 tp -100.66 4.85 43.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.445 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 162.49 42.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.78 0.324 . . . . 0.0 111.485 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.667 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.88 141.55 14.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.667 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 10.4 Cg_endo -52.71 71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.694 2.263 . . . . 0.0 112.078 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.62 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.6 OUTLIER -71.86 159.36 85.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.48 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.509 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 90.7 Cg_endo -77.41 -160.86 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.9 2.4 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.18 -6.97 22.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.933 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.468 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.87 -25.96 17.2 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.562 ' HB ' ' CE2' ' S' ' 41' ' ' TYR . 15.2 m -76.29 157.45 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.284 -0.958 . . . . 0.0 109.784 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.517 ' HB3' HD23 ' S' ' 36' ' ' LEU . 1.4 m-20 -125.22 108.65 27.2 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.455 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 23.0 Cg_endo -60.42 -13.74 26.55 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.762 2.308 . . . . 0.0 114.393 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.568 HD22 ' N ' ' S' ' 37' ' ' LYS . 0.5 OUTLIER -77.89 -8.29 57.87 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 111.733 -179.588 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.568 ' N ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER 171.49 89.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.582 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 8.1 mt -56.69 -30.32 63.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.567 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER -39.59 -26.96 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -70.47 -36.34 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.582 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 52.8 p90 -97.53 35.41 1.65 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.656 ' HA ' HG21 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -138.48 115.3 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.677 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.482 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 5.1 t -63.04 -170.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.475 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 21.4 p-10 -65.75 -32.74 74.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.35 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.64 -49.02 67.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.408 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 37.2 t0 -67.74 -38.56 83.67 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.613 ' HB3' ' O ' ' S' ' 53' ' ' MET . 0.6 OUTLIER -62.77 -42.16 99.56 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.212 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.34 -46.06 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.344 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.0 -16.59 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . 0.408 ' CB ' ' O ' ' S' ' 46' ' ' ASP . . . -100.01 -23.85 14.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.501 HD12 ' CE1' ' S' ' 47' ' ' PHE . 12.7 mt -141.57 -4.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' S' ' 47' ' ' PHE . 5.3 m-20 62.3 13.59 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.613 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -127.4 -159.28 0.93 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.543 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 54' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 1.1 p -133.74 155.91 48.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.816 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 1.0 OUTLIER -59.63 -27.73 66.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.95 -9.26 54.14 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.652 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . 0.409 ' CG ' ' CD1' ' S' ' 61' ' ' LEU . 1.4 tt0 -95.14 -57.86 2.31 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.565 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -60.43 -28.79 68.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.25 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -54.44 -25.51 25.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.281 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.58 -29.3 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.76 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 0.3 OUTLIER -60.86 168.6 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.719 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . 0.429 ' O ' ' HG2' ' S' ' 66' ' ' GLN . 52.3 Cg_exo -52.38 160.23 3.71 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.065 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.44 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -88.07 -21.03 24.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.663 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.568 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.48 -43.59 10.15 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.567 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.4 OUTLIER -60.84 -42.86 98.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.737 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.565 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.97 -43.26 99.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 77.7 t -64.06 -39.79 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.335 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.568 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 57.7 t30 -43.17 -55.86 3.72 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.128 0.489 . . . . 0.0 111.22 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.418 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 3.5 mm? -69.99 -38.72 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.755 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.746 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -63.29 -47.05 83.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.766 -179.2 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.419 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 16.4 mttp -57.51 -35.8 70.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -26.69 66.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.334 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -17.38 28.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.29 -11.15 28.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.827 -0.702 . . . . 0.0 113.259 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.63 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 3.9 mt -84.18 -71.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.746 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.284 179.155 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ptt? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.733 0.302 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.95 -44.32 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.01 -55.01 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -72.33 167.34 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -96.98 155.56 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.58 118.08 35.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -90.44 124.24 34.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -108.0 110.92 22.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.623 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.599 HG22 ' HA ' ' S' ' 42' ' ' LEU . 5.3 mp -89.61 147.08 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.277 0.561 . . . . 0.0 111.945 -179.307 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.585 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 19.3 m-30 -98.59 134.42 21.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.66 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.506 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.3 Cg_endo -48.51 136.91 26.2 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.862 2.374 . . . . 0.0 112.765 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.95 -45.24 86.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.258 -179.434 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.93 72.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.427 0.632 . . . . 0.0 110.907 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.506 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.6 OUTLIER -50.14 -21.42 1.29 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.398 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.51 HD13 ' OH ' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -115.64 -27.45 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.413 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' S' ' 26' ' ' ALA . 0.4 OUTLIER -62.41 -13.52 30.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.239 -179.531 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.406 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 166.45 47.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 179.675 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.726 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.48 142.34 15.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.766 -179.341 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.726 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 96.5 Cg_exo -40.48 79.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.399 2.066 . . . . 0.0 111.837 178.518 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.682 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.4 pp -76.29 155.64 83.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.489 -1.232 . . . . 0.0 112.651 -178.642 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.585 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 55.8 Cg_endo -66.46 -162.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.861 3.041 . . . . 0.0 113.21 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -96.26 -42.5 8.14 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.44 -26.99 3.89 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 119.804 -1.189 . . . . 0.0 110.216 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.49 ' CG2' ' CD2' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -81.15 111.24 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 114.786 -0.707 . . . . 0.0 109.645 178.304 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.47 ' HB3' HD13 ' S' ' 36' ' ' LEU . 1.7 m-20 -96.6 126.56 42.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.18 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.405 ' O ' HD23 ' S' ' 38' ' ' LEU . 19.3 Cg_endo -58.18 -38.37 91.56 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.774 2.316 . . . . 0.0 113.58 -178.881 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.543 ' C ' ' CD2' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -76.35 -20.58 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.825 -179.25 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.48 ' CB ' HD21 ' S' ' 36' ' ' LEU . 0.2 OUTLIER -132.74 91.85 2.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 110.233 179.455 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.616 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 8.1 mt -88.14 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.79 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.484 ' H ' ' HE3' ' S' ' 70' ' ' LYS . 0.4 OUTLIER -39.2 -25.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.695 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.441 ' CD1' ' O ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -77.45 -23.81 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.616 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 0.1 OUTLIER -95.77 25.7 4.48 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.651 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.599 ' HA ' HG22 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -138.14 115.91 11.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.23 179.751 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.689 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.9 t -59.7 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.991 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.441 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.9 p30 -68.0 -39.35 83.24 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 122.731 0.412 . . . . 0.0 110.38 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.34 -51.53 65.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -66.47 -35.42 80.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.336 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.689 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.98 -43.69 98.1 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 178.082 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.14 -43.05 77.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.439 -179.195 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.1 -37.15 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.484 HD22 ' HE2' ' S' ' 58' ' ' TYR . 1.4 mt -140.01 1.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.249 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 61.41 13.75 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.334 -0.147 . . . . 0.0 111.183 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.631 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.71 -161.17 0.83 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.576 179.472 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 2.8 p -133.97 151.75 51.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.495 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.5 OUTLIER -59.2 -25.71 64.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.513 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.95 -8.99 47.72 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -93.32 -56.53 2.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.372 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.525 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -62.41 -31.69 72.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.043 177.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.4 OUTLIER -51.35 -26.07 7.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.289 179.558 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.42 -30.9 5.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.654 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 7.8 mt -60.78 159.13 27.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.712 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 67.9 Cg_exo -49.84 143.75 22.55 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.38 2.054 . . . . 0.0 111.851 179.989 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.464 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -74.74 -15.0 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.939 -179.469 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.565 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.72 -45.82 8.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.37 -42.02 94.94 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.494 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . 0.525 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.71 -44.09 97.12 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.888 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' S' ' 63' ' ' ALA . 77.7 t -63.26 -38.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.264 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.565 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.5 t30 -45.86 -60.37 2.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 111.502 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 9.1 tp -72.35 -12.8 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.855 -179.096 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.534 ' HB3' ' N ' ' S' ' 76' ' ' PHE . 30.9 mtpt -74.49 -46.06 41.95 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.41 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 20.1 mttt -63.3 -37.46 87.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.139 179.222 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.57 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -16.29 30.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.23 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.36 -11.52 28.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.484 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.632 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 7.8 mt -81.24 -73.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.767 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.765 ' OXT' ' CD1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 O-C-N 124.363 1.039 . . . . 0.0 111.95 178.539 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.86 -42.15 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.35 -31.17 33.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -103.66 150.07 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.05 119.61 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 p -146.93 122.29 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -76.81 125.72 29.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.62 124.87 12.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 18' ' ' ILE . . . . . 0.451 HD11 ' O ' ' S' ' 19' ' ' TYR . 0.0 OUTLIER -89.79 130.33 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 19' ' ' TYR . . . . . 0.539 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.8 m-30 -93.85 140.09 22.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.832 179.365 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 20' ' ' PRO . . . . . 0.422 ' O ' HD21 ' S' ' 24' ' ' LEU . 5.9 Cg_endo -47.73 106.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.266 2.644 . . . . 0.0 113.515 -178.529 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 21' ' ' LEU . . . . . 0.506 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -40.23 -36.26 0.5 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.232 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.18 77.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.923 0.392 . . . . 0.0 111.232 -179.354 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 23' ' ' ASP . . . . . 0.561 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.4 OUTLIER -65.15 -27.38 68.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -179.103 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 24' ' ' LEU . . . . . 0.612 ' CD1' ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -95.51 -17.71 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.04 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 25' ' ' LEU . . . . . 0.506 ' HB2' ' O ' ' S' ' 21' ' ' LEU . 7.7 tp -81.76 -10.66 59.29 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.155 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 26' ' ' ALA . . . . . 0.403 ' CB ' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 39.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 27' ' ' ARG . . . . . 0.698 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.85 154.0 34.09 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.238 179.133 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 28' ' ' PRO . . . . . 0.533 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.2 Cg_endo -44.89 72.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.244 2.629 . . . . 0.0 112.353 178.588 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 29' ' ' LEU . . . . . 0.698 ' N ' ' O ' ' S' ' 27' ' ' ARG . 2.6 pp -69.71 155.16 94.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.547 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 30' ' ' PRO . . . . . 0.539 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 68.2 Cg_endo -70.94 -162.95 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.388 2.725 . . . . 0.0 113.372 -179.107 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -93.1 -40.01 10.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.583 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 32' ' ' GLY . . . . . 0.486 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -45.73 -29.87 3.2 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 177.958 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 33' ' ' VAL . . . . . 0.517 ' CG2' ' CE1' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -74.08 113.87 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.211 -0.994 . . . . 0.0 108.818 177.366 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 34' ' ' ASP . . . . . 0.417 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 4.6 m-20 -90.33 126.74 55.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.219 -178.881 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 35' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 65.4 Cg_endo -73.68 -16.38 23.81 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.588 2.192 . . . . 0.0 113.579 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 36' ' ' LEU . . . . . 0.445 ' CD2' ' N ' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -78.7 -14.36 59.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.669 0.271 . . . . 0.0 111.644 -179.623 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 37' ' ' LYS . . . . . 0.445 ' N ' ' CD2' ' S' ' 36' ' ' LEU . 3.2 pttt -177.72 114.34 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 38' ' ' LEU . . . . . 0.708 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 2.5 mt -87.46 -36.34 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.879 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 39' ' ' GLU . . . . . 0.522 ' HB3' ' HD3' ' S' ' 70' ' ' LYS . 0.2 OUTLIER -44.73 -25.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.672 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 40' ' ' ILE . . . . . 0.405 ' CG2' ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -68.33 -38.37 79.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.828 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 41' ' ' TYR . . . . . 0.708 ' CE2' ' HA ' ' S' ' 38' ' ' LEU . 27.3 p90 -96.25 35.61 1.43 Allowed 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 42' ' ' LEU . . . . . 0.54 ' O ' ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.4 115.54 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.596 177.429 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 43' ' ' THR . . . . . 0.674 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -60.87 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.09 179.454 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 44' ' ' ASP . . . . . 0.408 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 20.7 p-10 -66.62 -36.91 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.247 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.61 -50.99 55.43 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.946 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 46' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 14.9 t0 -65.4 -31.83 73.14 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.163 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 47' ' ' PHE . . . . . 0.674 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.09 -47.03 69.33 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.292 177.995 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.59 -51.74 68.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.651 -178.988 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -75.18 -15.66 60.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.28 -61.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 51' ' ' LEU . . . . . 0.524 HD23 ' HG3' ' S' ' 70' ' ' LYS . 2.3 mt -109.17 -9.85 15.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.919 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 52' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' S' ' 47' ' ' PHE . 3.4 m-20 70.11 13.48 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.519 0.199 . . . . 0.0 111.181 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 53' ' ' MET . . . . . 0.62 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -119.88 -159.94 0.8 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.449 179.378 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.36 159.12 41.24 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.582 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 55' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.6 OUTLIER -62.18 -28.45 69.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.76 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -92.22 -8.96 43.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.441 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.56 -49.76 6.31 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.605 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 58' ' ' TYR . . . . . 0.488 ' CD1' ' HG2' ' S' ' 53' ' ' MET . 2.6 m-30 -71.36 -32.17 68.19 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.333 178.419 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 59' ' ' ASN . . . . . 0.431 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.1 m-20 -51.15 -28.07 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.295 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.34 -34.96 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.506 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -60.69 160.53 18.94 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.468 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 62' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -49.35 161.67 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.256 1.971 . . . . 0.0 111.82 179.776 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 63' ' ' ALA . . . . . 0.46 ' O ' ' CG2' ' S' ' 67' ' ' VAL . . . -84.2 -20.24 32.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.673 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 64' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.35 -43.87 10.05 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.563 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 65' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.09 96.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.566 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.92 -41.59 97.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.004 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 67' ' ' VAL . . . . . 0.576 ' HA ' ' HE2' ' S' ' 70' ' ' LYS . 97.4 t -66.44 -39.36 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 68' ' ' ASN . . . . . 0.537 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -40.42 -50.45 2.87 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.528 179.058 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 69' ' ' LEU . . . . . 0.413 ' HB3' HD22 ' S' ' 51' ' ' LEU . 1.8 mm? -77.01 -28.93 55.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 70' ' ' LYS . . . . . 0.805 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.6 mtmm -64.61 -52.27 58.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.261 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 71' ' ' LYS . . . . . 0.447 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 0.2 OUTLIER -61.31 -36.72 80.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.569 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.67 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.77 -16.34 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.693 0.282 . . . . 0.0 111.108 -179.935 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.22 -10.9 28.92 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.162 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' S' S ' 75' ' ' LEU . . . . . 0.569 ' O ' ' HB3' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -83.23 -71.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.204 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' S' S ' 76' ' ' PHE . . . . . 0.805 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.733 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.536 HG12 HG23 ' S' ' 43' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.009 0.433 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.672 ' CD2' HG23 ' S' ' 33' ' ' VAL . 6.7 m-30 -96.22 143.97 27.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -45.75 114.81 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 113.166 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.4 pp -41.86 -36.34 1.03 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.931 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -56.33 -51.98 66.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.889 0.376 . . . . 0.0 110.548 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 1.1 m-20 -51.45 -44.56 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.189 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.761 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -84.2 -13.13 53.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.518 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.75 HD13 HD23 ' S' ' 75' ' ' LEU . 12.2 tp -104.68 34.54 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 96.77 49.22 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 136.4 10.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 58.1 Cg_exo -30.68 80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.471 2.781 . . . . 0.0 113.071 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.76 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.2 pp -77.79 158.11 78.49 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.777 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 60.2 Cg_endo -80.24 -159.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.129 2.553 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -93.92 -40.81 9.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.441 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.41 -27.69 5.92 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.322 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.847 HG22 ' CE2' ' S' ' 41' ' ' TYR . 1.2 t -79.56 108.98 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.907 -0.647 . . . . 0.0 109.483 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.596 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.4 m-20 -89.02 123.96 66.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.32 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.506 ' HA ' HD21 ' S' ' 38' ' ' LEU . 19.6 Cg_endo -58.58 -35.14 99.06 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.67 2.247 . . . . 0.0 113.511 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.76 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -77.18 -17.22 58.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.597 ' N ' HD22 ' S' ' 36' ' ' LEU . 0.5 OUTLIER -141.99 88.61 2.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 111.303 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.869 HD22 ' OH ' ' S' ' 41' ' ' TYR . 3.7 mt -87.82 -51.25 5.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.671 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.9 OUTLIER -45.31 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.416 HD12 ' C ' ' S' ' 40' ' ' ILE . 2.4 pp -75.17 -18.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.869 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -111.71 32.97 5.04 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.698 HD12 ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.06 122.42 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.924 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.536 HG23 HG12 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -65.93 156.1 34.5 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.119 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' S' ' 48' ' ' GLU . 6.0 p-10 -34.67 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.288 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -68.04 -55.32 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.459 ' OD2' HD11 ' S' ' 24' ' ' LEU . 47.8 t0 -66.45 -32.86 74.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.876 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.698 ' CG ' HD12 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -70.13 -41.82 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.625 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' S' ' 44' ' ' ASP . 10.1 mt-10 -79.69 -25.13 41.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -85.19 -36.45 21.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.458 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.654 ' CB ' HD11 ' S' ' 75' ' ' LEU . . . -100.38 -22.2 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' S' ' 75' ' ' LEU . 10.0 mt -130.99 -10.75 3.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 53.7 m-20 63.12 13.33 6.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.653 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -130.66 -172.13 2.73 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.615 HG22 ' HB2' ' S' ' 57' ' ' GLU . 8.9 t -133.57 156.93 46.94 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.972 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -51.73 -26.84 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.44 -9.38 50.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.879 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.615 ' HB2' HG22 ' S' ' 54' ' ' THR . 22.0 tp10 -95.53 -55.91 2.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.636 ' CE2' HD22 ' S' ' 51' ' ' LEU . 3.0 m-30 -63.29 -29.42 70.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.496 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.7 m-20 -52.37 -28.1 18.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.294 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.96 -34.6 7.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.623 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.613 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.3 OUTLIER -60.84 161.66 14.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.613 ' HD2' HD23 ' S' ' 61' ' ' LEU . 50.8 Cg_exo -51.48 166.74 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.264 1.976 . . . . 0.0 111.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.671 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.488 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.529 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.3 -45.37 9.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.42 -43.86 98.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 12.2 pt20 -60.88 -42.33 97.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.671 HG23 ' O ' ' S' ' 63' ' ' ALA . 40.3 t -66.27 -41.0 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.171 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.529 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.3 t30 -40.65 -42.49 1.73 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.545 ' HB3' HD23 ' S' ' 51' ' ' LEU . 2.1 mm? -73.02 -48.1 39.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.444 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.71 ' HG3' HD21 ' S' ' 51' ' ' LEU . 0.4 OUTLIER -48.56 -55.73 10.31 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 110.972 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -60.48 -29.9 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.89 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -25.23 20.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.84 3.12 34.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.731 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' S' ' 51' ' ' LEU . 21.6 mt -62.85 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.434 0.617 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.52 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.774 HD13 ' HA ' ' S' ' 42' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.734 0.302 . . . . 0.0 111.289 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.657 ' CD2' HG23 ' S' ' 33' ' ' VAL . 5.9 m-30 -89.5 142.21 29.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.407 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.2 Cg_endo -49.89 98.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.648 2.232 . . . . 0.0 112.744 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.658 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -35.99 -37.48 0.11 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.577 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.561 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -68.13 -50.73 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.214 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.525 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -56.13 -19.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.947 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.968 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -115.32 -23.59 8.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 31.4 tp -57.14 -19.84 22.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 165.87 40.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.826 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.79 155.89 35.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 119.745 -0.169 . . . . 0.0 110.846 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -34.15 67.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.397 2.731 . . . . 0.0 112.918 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.932 HD12 HG11 ' S' ' 33' ' ' VAL . 0.5 OUTLIER -68.12 158.12 85.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.8 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' S' ' 29' ' ' LEU . 29.3 Cg_endo -60.67 -164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.509 2.806 . . . . 0.0 112.846 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -104.4 -40.16 6.18 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.4 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.5 -27.83 6.17 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.932 HG11 HD12 ' S' ' 29' ' ' LEU . 0.9 OUTLIER -79.48 108.93 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.718 -0.741 . . . . 0.0 109.542 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.568 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.6 m-20 -88.87 125.65 61.94 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.568 ' HA ' HD21 ' S' ' 38' ' ' LEU . 18.2 Cg_endo -59.93 -32.34 95.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.44 2.093 . . . . 0.0 113.215 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.842 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -76.7 -20.16 56.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.195 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.842 ' HE2' HD21 ' S' ' 36' ' ' LEU . 0.6 OUTLIER -138.77 91.81 2.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.081 0.467 . . . . 0.0 110.55 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.691 HD12 ' C ' ' S' ' 75' ' ' LEU . 10.2 mt -87.7 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.108 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.686 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.6 OUTLIER -42.06 -26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.573 HD12 ' N ' ' S' ' 41' ' ' TYR . 2.2 pp -75.36 -31.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.968 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -91.25 21.62 4.3 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.68 129.19 34.42 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.911 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.658 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.1 t -72.22 -169.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.014 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 14.7 p-10 -66.23 -34.8 78.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.68 -52.91 54.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.522 ' OD2' HD11 ' S' ' 18' ' ' ILE . 19.9 t0 -66.13 -38.66 88.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.788 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -60.85 -42.94 98.8 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.346 178.224 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 1.4 mt-10 -59.43 -49.04 79.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.943 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -14.22 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 1.025 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.18 -46.99 5.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.85 ' HG ' HD12 ' S' ' 75' ' ' LEU . 6.1 mt -120.5 -2.02 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 0.8 OUTLIER 62.09 13.42 5.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.447 0.165 . . . . 0.0 111.385 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.527 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 3.0 tpp -123.67 -159.15 0.84 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.442 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.61 152.16 51.84 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.73 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 31.3 ttm180 -57.56 -25.58 60.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.21 -9.47 45.18 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.47 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.402 ' HG2' ' CD1' ' S' ' 61' ' ' LEU . 4.0 tt0 -93.05 -54.81 3.58 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.839 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.3 m-85 -61.86 -32.31 72.65 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.646 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.0 OUTLIER -54.36 -28.55 43.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.302 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.42 -30.55 8.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.604 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.9 163.46 9.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.841 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.547 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.04 165.75 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.466 2.11 . . . . 0.0 112.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.71 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.21 -26.39 22.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 111.266 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.11 -44.8 9.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -62.13 -43.44 98.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.514 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.97 -39.62 90.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.71 HG23 ' O ' ' S' ' 63' ' ' ALA . 46.5 t -69.31 -39.98 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.047 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.4 t30 -40.43 -43.03 1.72 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.433 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 1.5 mm? -76.36 -47.81 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.085 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.749 ' HG2' HD11 ' S' ' 51' ' ' LEU . 35.0 mttt -50.3 -53.92 25.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.175 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -67.82 -26.61 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.84 -25.48 32.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.43 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 73' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -89.96 -25.05 21.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.0 -11.09 29.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 1.025 HD11 ' HB1' ' S' ' 50' ' ' ALA . 16.1 mt -57.58 -83.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.121 0.46 . . . . 0.0 110.039 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' CD ' ' S' ' 70' ' ' LYS . 1.6 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.986 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.714 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.3 mp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.768 ' CD2' HG13 ' S' ' 33' ' ' VAL . 4.9 m-30 -92.44 139.42 23.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 10.0 Cg_endo -51.48 111.12 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.548 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.2 pp -42.8 -42.98 3.79 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.327 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.479 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -61.88 -56.88 14.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.203 0.525 . . . . 0.0 110.908 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.533 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.3 OUTLIER -48.5 -21.9 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.522 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.931 ' CB ' HD23 ' S' ' 29' ' ' LEU . 0.2 OUTLIER -115.07 -28.93 6.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.813 HD12 HD23 ' S' ' 75' ' ' LEU . 2.0 tp -62.66 -17.24 60.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.847 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 176.83 43.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.089 0.471 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.687 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.35 143.31 16.38 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.687 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.0 Cg_exo -48.88 82.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.16 1.907 . . . . 0.0 111.646 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 1.038 HD22 HG21 ' S' ' 33' ' ' VAL . 0.2 OUTLIER -80.11 157.95 72.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.998 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 41.2 Cg_endo -65.33 -162.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.734 2.289 . . . . 0.0 111.51 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.75 -18.56 16.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.497 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.34 -26.34 13.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.31 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 1.038 HG21 HD22 ' S' ' 29' ' ' LEU . 10.4 m -83.37 108.57 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.205 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.515 ' O ' HD23 ' S' ' 38' ' ' LEU . 71.8 m-20 -78.04 110.05 12.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.582 ' HA ' HD21 ' S' ' 38' ' ' LEU . 9.9 Cg_endo -51.92 -21.19 11.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.716 2.277 . . . . 0.0 113.723 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.634 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -95.15 1.49 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' S' ' 37' ' ' LYS . 12.7 ptpt -158.39 84.79 0.85 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.166 0.507 . . . . 0.0 110.175 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.705 HD13 ' OH ' ' S' ' 41' ' ' TYR . 5.3 mt -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.837 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.6 ' HA ' HD11 ' S' ' 42' ' ' LEU . 22.2 pt-20 -44.14 -24.07 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.87 -33.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.786 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -90.48 25.61 2.22 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.815 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.714 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -134.99 122.21 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.783 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.88 -174.03 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.636 178.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.442 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.9 p-10 -62.11 -39.99 94.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.424 0.452 . . . . 0.0 110.707 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.54 -54.8 30.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 12.2 t0 -62.82 -34.35 77.11 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.783 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -63.5 -48.02 79.32 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.575 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.67 -40.03 82.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.546 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -92.34 -10.94 36.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.763 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -99.78 -39.32 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.851 HD21 ' CD ' ' S' ' 70' ' ' LYS . 0.5 OUTLIER -136.95 4.3 2.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.18 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.83 13.33 4.36 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.432 -0.168 . . . . 0.0 111.24 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -128.29 -167.01 1.7 Allowed 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.521 ' CG2' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.3 170.91 14.76 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 23.4 ttt180 -69.47 -29.52 67.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -87.26 -9.67 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.868 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.647 ' CG ' HD12 ' S' ' 61' ' ' LEU . 1.3 tp10 -95.64 -59.89 1.77 Allowed 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.728 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -56.71 -33.26 66.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.541 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -47.67 -28.32 2.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.48 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.0 -30.17 5.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.647 HD12 ' CG ' ' S' ' 57' ' ' GLU . 2.9 mt -60.86 162.3 12.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.829 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.475 ' CD ' HD23 ' S' ' 61' ' ' LEU . 52.7 Cg_exo -52.58 143.78 44.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.379 2.052 . . . . 0.0 112.024 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.833 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -72.46 -17.22 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.703 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.4 -44.04 9.9 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -60.75 -42.82 98.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.833 HG23 ' O ' ' S' ' 63' ' ' ALA . 55.7 t -66.1 -39.69 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.549 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 53.5 t30 -42.18 -49.71 4.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.545 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.549 ' CB ' HD23 ' S' ' 51' ' ' LEU . 3.4 mm? -67.29 -38.18 84.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.068 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.851 ' CD ' HD21 ' S' ' 51' ' ' LEU . 0.2 OUTLIER -55.11 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -50.43 -28.58 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.02 55.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.46 -25.42 14.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 0.38 29.9 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.888 -0.673 . . . . 0.0 114.225 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.813 HD23 HD12 ' S' ' 25' ' ' LEU . 21.2 mt -65.45 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.881 0.841 . . . . 0.0 109.84 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.653 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.637 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.704 HG23 ' HA ' ' S' ' 42' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.8 0.334 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.536 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 6.8 m-30 -90.81 142.01 27.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.34 110.85 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.616 2.211 . . . . 0.0 112.842 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.663 HD12 ' N ' ' S' ' 22' ' ' ALA . 2.5 pp -43.7 -38.93 3.37 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.663 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -59.32 -47.62 84.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.908 0.385 . . . . 0.0 111.021 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 9.5 m-20 -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.916 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.846 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -84.33 -19.5 33.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.795 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.859 HD13 HD23 ' S' ' 75' ' ' LEU . 23.3 tp -83.18 -9.72 59.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 173.25 37.72 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.599 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.48 147.81 22.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.278 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.526 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 77.5 Cg_exo -49.77 75.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.821 2.347 . . . . 0.0 112.053 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.764 HD12 HG11 ' S' ' 33' ' ' VAL . 1.0 OUTLIER -73.26 157.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.387 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 43.2 Cg_endo -66.28 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.946 2.431 . . . . 0.0 112.278 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.99 -11.75 18.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.872 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.74 -26.62 11.0 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.281 -1.437 . . . . 0.0 109.545 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.764 HG11 HD12 ' S' ' 29' ' ' LEU . 8.9 m -79.17 155.88 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 114.443 -0.878 . . . . 0.0 109.903 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.569 ' HB3' HD21 ' S' ' 36' ' ' LEU . 1.0 OUTLIER -125.17 102.83 30.37 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.688 ' HA ' HD21 ' S' ' 38' ' ' LEU . 1.0 OUTLIER -44.59 -42.01 14.38 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.903 2.402 . . . . 0.0 113.734 -178.451 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.668 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -65.41 -14.74 61.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.769 0.318 . . . . 0.0 111.396 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.617 ' HD3' HD23 ' S' ' 36' ' ' LEU . 10.1 pttt -160.48 96.07 1.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.72 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 6.5 mt -80.03 -53.14 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.632 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -37.12 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.432 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.516 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.5 pp -58.64 -27.15 33.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.846 ' HE1' HD13 ' S' ' 24' ' ' LEU . 28.9 p90 -106.77 33.28 4.01 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.704 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.4 OUTLIER -138.59 115.96 11.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.103 178.463 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.752 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 4.1 t -59.76 -170.18 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 1.5 p30 -64.05 -38.33 90.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.769 0.428 . . . . 0.0 110.746 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.8 -53.61 37.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 18.2 t0 -64.47 -30.56 71.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.752 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -68.67 -47.12 67.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.638 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.15 -45.43 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.136 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -17.15 38.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.913 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.15 -44.78 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.772 ' HG ' HD12 ' S' ' 75' ' ' LEU . 2.3 mt -123.03 -5.91 8.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' S' ' 47' ' ' PHE . 2.5 m-20 62.83 13.59 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.491 0.186 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.577 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -122.25 -162.67 1.01 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.514 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -133.43 159.21 41.03 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.656 0.265 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 27.5 ttm180 -63.45 -31.5 72.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 0.0 109.877 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.85 -8.59 54.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.628 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' S' ' 61' ' ' LEU . 3.1 tt0 -92.48 -58.57 2.32 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.737 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.4 m-30 -60.28 -33.32 72.17 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.425 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.0 OUTLIER -50.27 -24.99 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.345 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.23 -34.73 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.284 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.752 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.87 161.45 15.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.61 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.752 ' HD2' HD23 ' S' ' 61' ' ' LEU . 71.4 Cg_exo -49.48 158.18 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.447 2.098 . . . . 0.0 112.208 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.655 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.97 -17.62 30.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.641 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.17 -44.82 9.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -45.3 94.71 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.507 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 13.5 pt20 -60.79 -39.5 89.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' S' ' 76' ' ' PHE . 16.0 t -67.1 -40.99 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 55.1 t30 -43.97 -35.82 2.21 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.2 mm? -77.99 -48.73 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.817 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.728 ' HD3' HD11 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -53.09 -49.66 65.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.502 -179.417 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.46 -27.9 68.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.383 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.97 -30.57 44.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.317 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -94.51 -25.26 16.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.1 -7.45 29.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.766 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.913 HD11 ' HB1' ' S' ' 50' ' ' ALA . 58.0 mt -51.61 -85.53 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 117.626 0.713 . . . . 0.0 109.966 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.665 ' CE2' HG22 ' S' ' 67' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.783 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.725 ' CG1' HG23 ' S' ' 43' ' ' THR . 28.7 mm . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.611 ' CD2' HG13 ' S' ' 33' ' ' VAL . 1.8 m-30 -89.73 130.28 43.62 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.478 ' O ' HD23 ' S' ' 24' ' ' LEU . 8.3 Cg_endo -51.21 105.81 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.776 2.317 . . . . 0.0 112.778 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.595 ' O ' HD23 ' S' ' 25' ' ' LEU . 0.8 OUTLIER -40.56 -37.35 0.7 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.091 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.75 95.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.774 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.554 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 5.3 m-20 -66.73 -34.97 79.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.872 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.924 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -89.1 -11.87 42.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.771 ' O ' HD12 ' S' ' 25' ' ' LEU . 2.5 pp -109.25 11.89 25.15 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 176.42 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.587 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.88 154.29 34.37 Favored Pre-proline 0 N--CA 1.463 0.187 0 O-C-N 121.89 -0.506 . . . . 0.0 111.429 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.454 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 10.2 Cg_endo -50.86 76.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.047 2.498 . . . . 0.0 111.809 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.899 ' CD1' HG21 ' S' ' 33' ' ' VAL . 1.5 pt? -74.62 151.48 87.11 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.014 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 36.8 Cg_endo -63.44 -161.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.068 2.512 . . . . 0.0 111.927 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.75 -17.05 15.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.485 ' HA3' ' CZ ' ' S' ' 19' ' ' TYR . . . -50.53 -27.26 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 119.45 -1.357 . . . . 0.0 109.871 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.917 HG12 ' CE1' ' S' ' 41' ' ' TYR . 16.7 m -81.18 126.17 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 114.611 -0.794 . . . . 0.0 110.215 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.558 ' O ' HD23 ' S' ' 38' ' ' LEU . 4.7 m-20 -95.3 103.76 13.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.542 ' HA ' HD21 ' S' ' 38' ' ' LEU . 6.2 Cg_exo -39.89 -44.17 3.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.052 2.502 . . . . 0.0 113.651 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.744 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -73.17 -20.98 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.082 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.792 ' HE3' HG21 ' S' ' 40' ' ' ILE . 1.7 ptmt -138.84 92.96 2.65 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.668 0.271 . . . . 0.0 110.771 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.782 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 7.8 mt -88.06 -50.33 6.47 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.632 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -49.73 -19.9 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.792 HG21 ' HE3' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -72.03 -32.84 45.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.924 ' CE1' HD13 ' S' ' 24' ' ' LEU . 31.6 p90 -100.59 33.88 2.6 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.782 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -137.99 123.56 19.7 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.08 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.725 HG23 ' CG1' ' S' ' 18' ' ' ILE . 8.1 p -67.1 -176.96 0.59 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.067 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 18.4 p-10 -60.98 -33.37 73.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.49 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.57 -51.26 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' S' ' 21' ' ' LEU . 6.0 t0 -66.1 -38.02 87.2 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.782 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -62.03 -44.61 96.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.344 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' S' ' 44' ' ' ASP . 2.4 mt-10 -58.18 -46.68 85.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.678 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -14.75 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.49 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -100.16 -43.88 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.843 HD21 ' HG3' ' S' ' 70' ' ' LYS . 5.1 mt -125.53 -5.33 7.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' S' ' 47' ' ' PHE . 27.6 m-20 64.87 13.29 8.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.293 -0.163 . . . . 0.0 111.314 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.651 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.56 -159.05 0.85 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.489 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -133.65 153.67 51.5 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.6 OUTLIER -61.93 -25.62 67.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -90.81 -9.37 46.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.267 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.617 ' HG3' HD12 ' S' ' 61' ' ' LEU . 7.4 tp10 -94.27 -54.37 3.58 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -62.14 -32.57 73.18 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.931 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.0 m-20 -51.52 -25.82 7.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.25 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.01 -32.46 6.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.588 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.617 HD12 ' HG3' ' S' ' 57' ' ' GLU . 0.8 OUTLIER -60.76 168.49 2.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.802 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.512 ' CD ' HD23 ' S' ' 61' ' ' LEU . 49.5 Cg_exo -54.44 160.68 6.55 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 112.063 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.816 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.17 -24.36 23.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.255 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -45.49 8.89 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.68 97.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.295 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.436 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.02 -40.52 98.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.816 HG23 ' O ' ' S' ' 63' ' ' ALA . 74.9 t -67.7 -39.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.539 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 54.9 t30 -41.92 -42.12 2.67 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 110.736 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.54 ' HB3' HD23 ' S' ' 51' ' ' LEU . 2.7 mm? -72.84 -47.88 42.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.843 ' HG3' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -49.54 -61.95 1.82 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -48.75 -40.75 29.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.41 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -90.19 -25.34 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 41.31 3.85 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.227 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 5.1 mt -108.4 -79.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.798 ' CD1' ' HD2' ' S' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.659 HG23 ' HA ' ' S' ' 42' ' ' LEU . 4.2 mp . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.959 0.409 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.523 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.5 m-30 -99.5 156.97 34.8 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.505 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 5.7 Cg_endo -49.19 100.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.926 2.417 . . . . 0.0 112.87 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.592 ' HA ' HD11 ' S' ' 24' ' ' LEU . 2.3 pp -39.02 -33.93 0.14 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.47 73.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.559 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.3 OUTLIER -66.61 -28.87 68.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.999 ' HA ' HD23 ' S' ' 29' ' ' LEU . 0.1 OUTLIER -89.17 -19.96 24.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.679 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.92 HD12 ' CD2' ' S' ' 75' ' ' LEU . 1.6 tp -72.19 -22.17 61.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 163.38 48.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.722 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 154.25 34.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 110.966 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.485 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.1 Cg_endo -43.56 71.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.248 2.632 . . . . 0.0 112.158 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.999 HD23 ' HA ' ' S' ' 24' ' ' LEU . 0.4 OUTLIER -71.05 150.2 94.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.655 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 11.8 Cg_endo -54.97 -164.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.372 2.715 . . . . 0.0 113.208 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 31' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' S' ' 33' ' ' VAL . 4.4 tp10 -96.97 -39.61 9.28 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.85 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.467 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -45.69 -28.74 2.68 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.955 HG22 ' CE2' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -75.62 130.41 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 114.021 -1.09 . . . . 0.0 109.178 177.433 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 18.1 m-20 -97.39 139.43 21.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.379 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.73 -7.13 13.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.165 . . . . 0.0 113.963 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.586 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -115.02 10.67 16.29 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.753 -179.64 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.556 ' HG3' HG12 ' S' ' 40' ' ' ILE . 11.0 pttm -172.55 93.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.088 0.471 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.769 HD22 ' OH ' ' S' ' 41' ' ' TYR . 2.7 mt -87.45 -49.36 7.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.103 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.753 ' HA ' HD11 ' S' ' 42' ' ' LEU . 7.7 pt-20 -39.22 -27.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.757 HD12 ' N ' ' S' ' 41' ' ' TYR . 2.3 pp -73.9 -36.59 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.955 ' CE2' HG22 ' S' ' 33' ' ' VAL . 0.5 OUTLIER -89.87 27.82 1.48 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.753 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.51 119.1 13.93 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.203 178.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.745 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.1 t -60.04 -166.99 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.44 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 23.5 p-10 -66.15 -39.45 89.81 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.795 0.438 . . . . 0.0 110.417 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.21 -54.69 25.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.43 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 21.5 t0 -62.83 -30.09 71.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.745 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.27 -48.82 63.99 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.446 178.041 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -56.31 -51.94 66.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.581 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -15.15 60.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.786 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.32 -61.42 1.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.967 HD11 ' HD3' ' S' ' 70' ' ' LYS . 3.0 mt -108.36 -10.7 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.875 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' S' ' 47' ' ' PHE . 11.5 m-20 70.08 13.42 7.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.603 0.24 . . . . 0.0 110.956 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.619 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -120.65 -160.35 0.83 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.548 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -133.48 154.53 50.74 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.0 ttp85 -61.99 -29.8 70.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -89.39 -8.78 52.41 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.97 -58.29 2.38 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.613 ' HE2' HD22 ' S' ' 51' ' ' LEU . 1.6 m-30 -60.94 -32.16 71.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.412 177.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -48.92 -27.35 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.602 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.33 -32.3 7.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.756 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.94 160.2 22.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.782 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.756 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.2 Cg_exo -53.59 139.51 66.54 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.312 2.008 . . . . 0.0 111.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.829 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -63.82 -17.51 63.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.012 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.531 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.23 -41.54 11.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -41.97 98.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.79 -39.5 94.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.829 HG23 ' O ' ' S' ' 63' ' ' ALA . 78.6 t -66.82 -40.48 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.531 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.2 t30 -43.43 -52.65 5.9 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.415 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.463 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.4 mm? -67.3 -35.67 79.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.42 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.967 ' HD3' HD11 ' S' ' 51' ' ' LEU . 2.1 mmmm -53.54 -61.09 2.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.94 0.4 . . . . 0.0 110.672 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -64.97 -28.81 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.972 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.7 -34.61 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -25.34 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.674 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.82 5.47 41.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.173 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.92 ' CD2' HD12 ' S' ' 25' ' ' LEU . 2.0 mt -58.27 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.112 0.456 . . . . 0.0 110.307 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.637 ' CE2' HG13 ' S' ' 67' ' ' VAL . 1.4 m-85 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.209 -0.9 . . . . 0.0 112.244 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.726 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.4 mp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.878 0.371 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -89.85 142.16 28.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.46 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 11.9 Cg_endo -53.47 107.24 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.651 2.234 . . . . 0.0 112.755 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.645 HD12 ' N ' ' S' ' 22' ' ' ALA . 1.1 pp -38.27 -45.66 1.0 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.403 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.645 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -57.97 -64.16 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.213 0.53 . . . . 0.0 111.034 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.497 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 0.6 OUTLIER -44.56 -20.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.86 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.796 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -115.16 -22.56 9.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 1.097 HD12 HD21 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -73.95 -8.02 54.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 172.01 40.76 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 111.211 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.658 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.62 140.37 13.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.447 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.658 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 90.9 Cg_exo -40.42 82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.554 2.17 . . . . 0.0 112.035 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.814 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.8 pp -78.14 159.07 76.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.245 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -90.45 -162.05 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.522 2.814 . . . . 0.0 112.892 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 31' ' ' GLU . . . . . 0.605 ' C ' ' H ' ' S' ' 33' ' ' VAL . 3.0 tt0 -82.31 -172.33 3.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.197 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.36 -1.58 1.45 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.814 ' CG1' HD22 ' S' ' 29' ' ' LEU . 0.9 OUTLIER -126.54 108.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.483 ' HB2' ' HG3' ' S' ' 37' ' ' LYS . 9.9 m-20 -109.72 121.57 41.75 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.637 ' HA ' HD21 ' S' ' 38' ' ' LEU . 13.2 Cg_endo -54.15 -20.6 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.876 2.384 . . . . 0.0 113.505 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' S' ' 35' ' ' PRO . 0.2 OUTLIER -99.8 22.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.483 ' HG3' ' HB2' ' S' ' 34' ' ' ASP . 17.0 ptpt -178.26 76.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.98 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 1.06 HD12 HD23 ' S' ' 75' ' ' LEU . 1.5 mt -87.5 -40.45 14.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.549 ' HA ' HD11 ' S' ' 42' ' ' LEU . 3.2 pt-20 -49.1 -22.21 0.89 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.39 -5.58 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.806 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -131.68 20.89 4.65 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.87 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -129.02 132.06 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.532 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 5.9 t -74.27 -174.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.407 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.5 p30 -61.26 -33.16 73.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.39 -54.03 16.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -63.41 -29.39 70.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.87 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -71.98 -48.51 44.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.487 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.738 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -62.41 -50.44 71.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.34 -45.46 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.822 HD11 ' HG2' ' S' ' 70' ' ' LYS . 5.8 mp -89.75 -17.95 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' S' ' 47' ' ' PHE . 23.4 m-20 60.67 18.11 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 0.0 111.447 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.503 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 4.0 tpp -130.75 -158.42 0.89 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.432 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.36 153.65 51.41 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.43 ' HD2' ' CE2' ' S' ' 47' ' ' PHE . 5.8 tpt180 -57.25 -26.35 60.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -9.32 46.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.536 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.05 -53.26 3.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.457 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -63.52 -30.78 71.85 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.84 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -52.65 -29.19 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.302 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.88 -32.85 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.601 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.629 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.96 158.93 30.57 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.629 ' HD2' HD23 ' S' ' 61' ' ' LEU . 50.3 Cg_exo -52.96 142.27 53.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.446 2.097 . . . . 0.0 111.96 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.849 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -64.26 -17.84 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.946 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -89.19 -42.12 11.84 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' S' ' 68' ' ' ASN . 0.1 OUTLIER -63.84 -38.06 89.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.478 ' CD ' ' HA ' ' S' ' 63' ' ' ALA . 3.0 pt20 -64.0 -40.84 97.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.972 HG13 ' HB3' ' S' ' 76' ' ' PHE . 44.5 t -70.24 -35.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.574 ' HB3' ' O ' ' S' ' 65' ' ' LYS . 61.0 t30 -42.86 -62.88 0.9 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.778 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.658 HD23 ' O ' ' S' ' 51' ' ' LEU . 1.2 tp -70.03 -31.4 69.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.822 ' HG2' HD11 ' S' ' 51' ' ' LEU . 2.4 mtmp? -66.67 -31.97 72.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.809 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.859 ' HG3' HG12 ' S' ' 67' ' ' VAL . 14.2 mttt -72.03 -33.93 68.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.351 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.55 -30.68 2.36 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.136 0.493 . . . . 0.0 110.291 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -110.84 -25.06 10.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.282 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.35 49.34 1.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.849 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 1.097 HD21 HD12 ' S' ' 25' ' ' LEU . 1.8 mt -103.9 -85.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.546 0.212 . . . . 0.0 111.409 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.972 ' HB3' HG13 ' S' ' 67' ' ' VAL . 50.9 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.679 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.766 HD13 ' N ' ' S' ' 19' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.526 0.203 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.766 ' N ' HD13 ' S' ' 18' ' ' ILE . 3.8 m-30 -89.88 131.75 38.46 Favored Pre-proline 0 CA--C 1.531 0.23 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -37.86 110.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.359 2.706 . . . . 0.0 113.354 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.6 pp -42.67 -29.41 0.3 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.778 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.04 -46.26 82.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.051 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' S' ' 29' ' ' LEU . 1.1 m-20 -53.15 -41.24 64.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.006 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.813 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -87.6 -9.54 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.629 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.953 HD13 HD23 ' S' ' 75' ' ' LEU . 10.8 tp -111.77 38.07 2.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 97.27 47.02 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.635 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.91 136.4 10.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.68 178.451 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.635 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 57.2 Cg_exo -32.36 82.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 123.262 2.642 . . . . 0.0 113.2 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.808 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.5 pp -78.48 158.09 76.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.01 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 69.4 Cg_endo -78.29 -159.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.105 2.537 . . . . 0.0 112.141 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -94.58 -40.26 9.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.619 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.433 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.61 -25.03 6.22 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.511 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.808 ' CG1' HD22 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -84.59 112.54 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 114.93 -0.635 . . . . 0.0 110.054 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.44 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 1.3 m-20 -96.52 122.04 58.38 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.509 ' HA ' HD21 ' S' ' 38' ' ' LEU . 11.8 Cg_endo -55.49 -27.14 57.69 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.811 2.34 . . . . 0.0 113.485 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.813 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -80.92 -9.5 59.82 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.813 ' HE2' HD21 ' S' ' 36' ' ' LEU . 6.3 pttt -157.05 88.87 1.04 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.752 0.311 . . . . 0.0 111.557 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.862 HD22 ' OH ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.85 -38.85 15.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.712 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.825 ' OE2' HG23 ' S' ' 40' ' ' ILE . 3.0 pm0 -54.17 -20.06 6.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.825 HG23 ' OE2' ' S' ' 39' ' ' GLU . 2.0 pp -83.48 -25.45 7.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.862 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.4 OUTLIER -104.5 30.05 5.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -135.8 117.14 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.103 179.079 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.693 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.1 p -59.68 -177.95 0.06 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.7 p-10 -58.54 -35.48 72.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.933 0.493 . . . . 0.0 111.204 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.22 -54.56 23.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.536 ' OD2' HD11 ' S' ' 18' ' ' ILE . 9.3 t0 -63.87 -34.68 78.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -64.94 -47.2 78.51 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.569 178.468 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 2.3 mt-10 -59.1 -50.96 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -16.0 58.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.528 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -100.32 -61.57 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.777 ' HG ' HD13 ' S' ' 75' ' ' LEU . 3.7 mt -107.06 -2.95 20.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 7.9 m-20 64.21 13.47 7.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.317 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.655 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -123.18 -163.01 1.07 Allowed 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.38 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 30.2 p -133.61 158.24 43.7 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.079 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 11.3 ttt-85 -62.53 -29.61 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.11 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.07 -8.9 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.6 ' HG3' HD12 ' S' ' 61' ' ' LEU . 0.9 OUTLIER -95.07 -58.8 2.05 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.557 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.2 m-30 -59.12 -29.87 67.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.101 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -51.43 -26.9 8.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.212 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.63 -32.63 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.478 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.715 HD23 ' HD2' ' S' ' 62' ' ' PRO . 3.0 mt -60.77 149.55 79.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.715 ' HD2' HD23 ' S' ' 61' ' ' LEU . 2.9 Cg_endo -42.38 127.95 4.41 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 123.211 2.607 . . . . 0.0 112.171 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.743 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -63.87 -15.69 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.159 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.31 -43.09 10.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.35 -44.3 97.41 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.447 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.786 HG13 ' HE1' ' S' ' 76' ' ' PHE . 40.5 t -60.27 -42.91 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' S' ' 72' ' ' ALA . 50.0 t30 -46.03 -32.81 3.01 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.142 0.496 . . . . 0.0 110.441 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.551 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.5 mm? -84.79 -43.66 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.773 ' HG2' HD21 ' S' ' 51' ' ' LEU . 23.3 mttt -56.36 -51.77 67.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.669 0.271 . . . . 0.0 110.591 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -70.36 -30.54 67.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.768 0.318 . . . . 0.0 110.786 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 72' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' S' ' 68' ' ' ASN . . . -56.29 -31.43 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 73' ' ' LYS . . . . . 0.488 ' CE ' HD21 ' S' ' 25' ' ' LEU . 6.9 tttt -116.81 17.15 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.92 13.87 57.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.961 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.953 HD23 HD13 ' S' ' 25' ' ' LEU . 12.5 mt -53.91 -92.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.685 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.786 ' HE1' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.047 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.69 HG21 ' H ' ' S' ' 43' ' ' THR . 2.8 tp . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.724 0.297 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 7.2 m-30 -89.8 125.65 60.25 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.425 ' O ' ' CD2' ' S' ' 24' ' ' LEU . 1.9 Cg_endo -43.57 133.98 7.21 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.357 2.704 . . . . 0.0 113.622 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.2 pp -49.62 -41.98 43.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.116 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.82 -45.09 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.142 0.496 . . . . 0.0 109.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.685 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -46.44 -26.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.17 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -113.81 -28.66 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.516 -179.335 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.788 HD13 HD23 ' S' ' 75' ' ' LEU . 17.6 tp -72.7 47.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 94.85 46.8 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.167 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.693 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.84 138.68 12.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.229 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.0 Cg_exo -34.52 79.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.895 2.397 . . . . 0.0 112.678 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.672 HD13 ' H ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -75.59 158.16 83.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 71.6 Cg_endo -78.31 -158.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.268 2.645 . . . . 0.0 112.026 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.3 -42.08 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.779 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.442 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.06 -24.21 6.37 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.564 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.965 HG22 ' CD1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -87.15 107.97 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.087 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.527 ' CB ' HD21 ' S' ' 36' ' ' LEU . 13.9 m-20 -94.76 118.29 66.81 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.37 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.33 -21.61 61.51 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.581 2.187 . . . . 0.0 113.52 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.563 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.78 -11.4 60.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.603 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CE ' HD23 ' S' ' 36' ' ' LEU . 7.6 ptpt -174.25 113.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.823 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.4 mp -88.11 -40.19 13.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.655 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -41.83 -28.07 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.438 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.447 HG12 ' O ' ' S' ' 37' ' ' LYS . 50.4 pt -71.22 -33.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.965 ' CD1' HG22 ' S' ' 33' ' ' VAL . 6.0 p90 -105.52 43.04 1.16 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.695 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.64 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.442 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.69 ' H ' HG21 ' S' ' 18' ' ' ILE . 12.8 t -65.18 156.72 30.85 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' S' ' 48' ' ' GLU . 5.0 p-10 -33.29 -35.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.262 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.31 -51.65 42.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.537 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 58.5 t0 -68.71 -34.06 74.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.043 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.695 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -69.77 -39.8 76.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.033 179.198 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' S' ' 44' ' ' ASP . 1.6 mt-10 -79.66 -28.97 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.297 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -90.29 -31.47 16.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.464 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.13 -21.43 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.751 HD21 ' HA ' ' S' ' 70' ' ' LYS . 9.4 mt -135.47 -5.24 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 1.4 m-20 61.28 13.28 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.346 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.669 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 2.9 tpp -131.52 -166.26 1.69 Allowed 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -133.55 162.17 32.63 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 17.8 ttt180 -61.65 -25.94 67.69 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.03 -9.05 50.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.13 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.09 -56.2 2.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.617 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.7 m-30 -62.93 -29.84 71.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.203 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -51.49 -29.95 18.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.28 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.61 -34.07 7.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.638 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.741 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.78 160.36 20.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.741 ' HD2' HD23 ' S' ' 61' ' ' LEU . 2.3 Cg_endo -44.06 157.78 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.066 2.51 . . . . 0.0 112.14 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.831 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.06 -26.6 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.04 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.506 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.49 -45.95 8.63 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.86 -40.95 94.84 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.333 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.473 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.98 -44.02 97.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.831 HG23 ' O ' ' S' ' 63' ' ' ALA . 88.8 t -65.03 -40.22 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.505 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 61.1 t30 -41.84 -45.83 3.77 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -79.1 -30.2 43.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.751 ' HA ' HD21 ' S' ' 51' ' ' LEU . 59.0 mttt -56.53 -50.99 70.22 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.443 ' HG2' ' HB2' ' S' ' 76' ' ' PHE . 2.0 mttm -61.91 -42.71 99.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.99 -35.24 6.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.733 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -20.18 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.37 16.36 9.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.05 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.814 ' HB3' HD13 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -107.74 -69.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.224 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.73 ' O ' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.432 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.55 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.848 0.356 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.544 ' CD2' HG23 ' S' ' 33' ' ' VAL . 7.2 m-30 -89.91 136.77 28.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.91 109.34 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.883 2.389 . . . . 0.0 112.698 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.718 HD23 ' CG ' ' S' ' 46' ' ' ASP . 1.0 OUTLIER -45.46 -35.6 3.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.961 -179.794 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -51.18 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.644 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -55.13 -18.92 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.981 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -115.64 -25.58 7.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.854 -178.58 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.623 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 38.3 tp -53.95 -18.49 3.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.087 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 167.16 41.4 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.69 155.76 35.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 122.38 -0.2 . . . . 0.0 110.86 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -39.21 69.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.691 2.927 . . . . 0.0 112.986 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.825 HD22 HG11 ' S' ' 33' ' ' VAL . 2.4 pp -69.06 158.07 87.51 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.085 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 45.5 Cg_endo -65.59 -163.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.374 2.716 . . . . 0.0 113.089 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.98 -39.21 9.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.472 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.28 -27.02 7.2 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.076 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.825 HG11 HD22 ' S' ' 29' ' ' LEU . 1.2 t -79.14 110.3 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.436 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.467 ' O ' HD23 ' S' ' 38' ' ' LEU . 66.5 m-20 -94.72 134.36 25.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.705 ' HA ' HD21 ' S' ' 38' ' ' LEU . 40.3 Cg_endo -67.48 -40.9 9.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.512 2.141 . . . . 0.0 113.556 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.637 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -71.07 -9.47 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.704 0.288 . . . . 0.0 111.714 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.67 ' HB2' HD13 ' S' ' 40' ' ' ILE . 0.6 OUTLIER -145.43 87.94 1.83 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' S' ' 35' ' ' PRO . 2.5 mt -87.31 -56.86 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.739 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.631 ' HA ' HD11 ' S' ' 42' ' ' LEU . 7.2 pt-20 -50.18 -23.94 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 0.0 110.854 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.67 HD13 ' HB2' ' S' ' 37' ' ' LYS . 1.9 mp -62.29 -39.12 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.305 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.859 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -93.8 29.48 2.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.601 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -138.21 116.24 11.68 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.461 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.709 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.3 t -59.96 -166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -67.1 -39.18 86.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.684 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -63.69 -53.19 55.2 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.718 ' CG ' HD23 ' S' ' 21' ' ' LEU . 10.9 t0 -64.89 -34.42 78.36 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.709 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -63.49 -45.88 88.7 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.283 178.036 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.91 -44.78 82.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.752 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -13.79 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.02 -45.27 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.838 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.85 HD11 ' CG ' ' S' ' 70' ' ' LYS . 3.5 mt -127.85 -1.69 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' S' ' 47' ' ' PHE . 13.7 m-20 60.34 13.95 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.568 0.223 . . . . 0.0 111.205 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.603 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.68 -162.0 0.87 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.648 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.74 147.23 51.31 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.861 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -56.72 -29.26 62.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 0.0 110.019 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.02 -8.92 56.68 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.777 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 49.4 tt0 -94.22 -62.76 1.28 Allowed 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.655 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.1 m-30 -56.14 -30.59 62.37 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.051 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -50.57 -24.1 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.423 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.25 -33.43 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.687 0.28 . . . . 0.0 111.525 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.77 160.54 19.24 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.789 ' HD2' HD23 ' S' ' 61' ' ' LEU . 77.4 Cg_exo -49.2 159.55 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.381 2.054 . . . . 0.0 111.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.751 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.67 -18.41 29.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.13 -43.48 10.43 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.577 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -61.6 -43.81 98.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' S' ' 63' ' ' ALA . 3.9 pt20 -62.45 -37.83 87.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.751 HG23 ' O ' ' S' ' 63' ' ' ALA . 24.2 t -67.12 -40.92 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.535 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.4 t30 -47.2 -49.9 21.98 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.303 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' S' ' 69' ' ' LEU . 5.4 tp -70.98 -42.49 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.471 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.85 ' CG ' HD11 ' S' ' 51' ' ' LEU . 1.1 mtmp? -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' S' ' 67' ' ' VAL . 17.0 mtpt -65.36 -32.49 74.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.068 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.78 84.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -22.42 22.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.59 -10.25 28.14 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.568 -0.825 . . . . 0.0 114.108 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.696 ' C ' HD12 ' S' ' 38' ' ' LEU . 19.8 mt -56.11 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 118.007 0.904 . . . . 0.0 109.412 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.66 ' CD2' HG22 ' S' ' 67' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.368 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.793 HG23 ' HA ' ' S' ' 42' ' ' LEU . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.663 ' CD2' HG23 ' S' ' 33' ' ' VAL . 4.9 m-30 -90.63 139.63 26.45 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.7 Cg_endo -51.84 103.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.793 2.329 . . . . 0.0 112.779 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' S' ' 24' ' ' LEU . 1.0 OUTLIER -40.26 -38.67 0.82 Allowed 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.216 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.515 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -67.07 -46.36 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.04 0.448 . . . . 0.0 111.447 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.666 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -61.92 -17.51 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.829 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.872 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -114.4 -18.99 11.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.622 -178.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 33.7 tp -72.84 -9.79 59.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.04 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.42 36.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.696 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.82 154.59 34.89 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.232 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.492 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.0 Cg_endo -43.49 71.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.435 2.757 . . . . 0.0 112.525 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.747 HD22 HG11 ' S' ' 33' ' ' VAL . 3.0 pp -69.99 159.0 85.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.974 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 51.8 Cg_endo -65.84 -163.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.487 2.791 . . . . 0.0 113.124 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -100.37 -36.41 9.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.014 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.99 -26.96 6.28 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 119.618 -1.277 . . . . 0.0 109.98 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.792 HG22 ' CE2' ' S' ' 41' ' ' TYR . 1.2 t -79.09 110.38 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.376 -0.912 . . . . 0.0 109.376 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.465 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 53.8 m-20 -91.39 122.99 65.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.521 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.528 ' HA ' HD21 ' S' ' 38' ' ' LEU . 30.7 Cg_endo -63.47 -28.29 70.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.778 2.319 . . . . 0.0 113.463 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.613 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -85.33 5.16 31.82 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.47 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -167.35 90.73 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.174 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.699 HD13 ' OH ' ' S' ' 41' ' ' TYR . 2.0 mt -87.64 -59.37 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.65 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -41.07 -27.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.47 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -67.26 -32.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.872 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -96.19 28.85 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.793 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -138.13 121.96 17.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.505 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 7.6 t -63.52 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.986 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.546 ' CB ' HG22 ' S' ' 54' ' ' THR . 10.0 p-10 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.884 0.473 . . . . 0.0 110.357 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -64.55 -52.54 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.621 ' CG ' HD23 ' S' ' 21' ' ' LEU . 9.8 t0 -65.46 -33.15 75.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.681 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -65.65 -45.61 82.32 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.96 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.42 -48.8 71.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.69 -11.15 59.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.739 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.18 -61.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.781 0.324 . . . . 0.0 111.717 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.763 HD21 ' CA ' ' S' ' 70' ' ' LYS . 2.9 mt -117.08 2.01 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.35 14.04 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.468 0.175 . . . . 0.0 111.457 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.653 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -117.98 -160.52 0.79 Allowed 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.68 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.546 HG22 ' CB ' ' S' ' 44' ' ' ASP . 0.8 OUTLIER -133.82 153.7 51.54 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.69 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.079 0.466 . . . . 0.0 109.986 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.97 -9.09 54.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.742 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 4.8 tt0 -94.57 -59.73 1.87 Allowed 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.673 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.7 m-30 -58.91 -29.77 67.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.869 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -50.27 -29.89 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.543 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.62 -29.63 7.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.847 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.66 154.81 54.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.744 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.847 ' HD2' HD23 ' S' ' 61' ' ' LEU . 74.6 Cg_exo -47.26 147.87 5.31 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 111.815 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.713 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -74.35 -18.33 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.995 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.52 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.51 -46.2 8.47 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.47 -41.45 97.26 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 12.2 pt20 -63.19 -41.08 99.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.87 HG12 ' HE2' ' S' ' 71' ' ' LYS . 48.0 t -68.12 -39.21 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.181 177.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.518 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.7 t30 -41.68 -53.57 3.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.7 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' S' ' 69' ' ' LEU . 8.8 tp -78.54 -19.43 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.336 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.763 ' CA ' HD21 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -69.2 -49.23 58.43 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.139 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.87 ' HE2' HG12 ' S' ' 67' ' ' VAL . 31.6 mtmt -62.28 -45.5 92.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.768 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.08 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.678 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.92 -18.0 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.242 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.19 -8.83 29.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.975 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.69 ' HB3' HD12 ' S' ' 38' ' ' LEU . 0.7 OUTLIER -85.37 -69.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.635 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.626 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.568 0.223 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.731 ' HD2' HG13 ' S' ' 33' ' ' VAL . 4.9 m-30 -89.7 130.02 44.63 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -38.75 112.75 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.249 2.633 . . . . 0.0 113.202 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -39.6 -34.35 0.23 Allowed 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.838 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -61.69 -47.72 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.002 0.429 . . . . 0.0 110.169 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' S' ' 29' ' ' LEU . 0.7 OUTLIER -51.78 -42.47 62.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.13 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.844 ' HA ' HD23 ' S' ' 29' ' ' LEU . 0.1 OUTLIER -86.78 -22.45 25.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.469 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 1.016 HD12 HD21 ' S' ' 75' ' ' LEU . 0.2 OUTLIER -98.5 43.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.347 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 93.05 50.57 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.588 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.99 132.94 8.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 178.089 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 48.8 Cg_exo -34.53 83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.141 2.561 . . . . 0.0 112.974 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.994 HD22 HG21 ' S' ' 33' ' ' VAL . 0.4 OUTLIER -90.77 157.65 43.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.373 -178.863 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.508 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 72.6 Cg_endo -72.97 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.907 2.404 . . . . 0.0 111.016 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.5 -16.51 17.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.653 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -53.36 -23.49 18.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.4 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.994 HG21 HD22 ' S' ' 29' ' ' LEU . 12.1 m -86.13 108.93 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 115.456 -0.372 . . . . 0.0 110.719 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.564 ' HB3' HD21 ' S' ' 36' ' ' LEU . 5.9 m-20 -81.54 107.52 8.33 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.733 ' HA ' HD21 ' S' ' 38' ' ' LEU . 10.0 Cg_endo -52.19 -26.97 28.21 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.606 2.204 . . . . 0.0 113.456 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.651 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.15 -12.39 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.63 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.56 ' HE3' HD23 ' S' ' 36' ' ' LEU . 4.3 ptpp? -171.99 104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 109.734 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' S' ' 75' ' ' LEU . 5.9 mt -88.06 -46.61 9.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.668 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -39.7 -27.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.471 HG23 ' OE1' ' S' ' 39' ' ' GLU . 45.5 pt -67.25 -29.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.819 ' OH ' HD22 ' S' ' 38' ' ' LEU . 2.6 p90 -103.85 30.65 4.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.702 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.27 115.55 14.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.739 178.397 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.8 p -60.52 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.314 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.479 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 4.6 p-10 -62.7 -32.9 74.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.3 -50.45 60.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 8.5 t0 -67.61 -34.03 76.18 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.702 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -66.63 -43.38 84.87 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.118 178.226 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.13 -39.58 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.921 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -22.15 18.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.12 -14.12 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.707 HD11 ' HG3' ' S' ' 70' ' ' LYS . 11.6 mt -149.76 -6.86 0.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.55 13.33 7.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.571 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 5.6 tpp -126.73 -159.17 0.91 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.563 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.1 p -133.57 156.7 47.35 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 4.8 ttm180 -60.93 -27.12 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.86 -9.24 54.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.461 ' HG3' HD12 ' S' ' 61' ' ' LEU . 0.9 OUTLIER -95.13 -57.02 2.54 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.68 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.58 -26.04 67.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.111 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.1 OUTLIER -53.85 -31.2 48.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.379 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.24 -26.84 7.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.753 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.58 156.1 45.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.658 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.753 ' HD2' HD23 ' S' ' 61' ' ' LEU . 3.6 Cg_exo -40.27 159.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.251 2.634 . . . . 0.0 112.203 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.78 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.22 -26.36 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.896 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.49 -45.32 9.03 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -41.36 97.27 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 9.7 pt20 -62.93 -41.47 99.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.78 HG23 ' O ' ' S' ' 63' ' ' ALA . 53.1 t -67.06 -41.03 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.153 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.541 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.2 t30 -41.34 -49.37 3.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.131 0.491 . . . . 0.0 111.227 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.513 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 4.6 mm? -72.3 -34.21 67.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.421 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.813 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.2 mtpt -63.22 -53.52 51.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.59 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 24.5 mttt -57.43 -34.76 69.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.269 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' S' S ' 73' ' ' LYS . . . . . 0.592 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.0 OUTLIER -107.22 -18.67 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.638 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 74' ' ' GLY . . . . . 0.41 ' O ' HD23 ' S' ' 75' ' ' LEU . . . 111.25 35.01 2.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.122 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 1.016 HD21 HD12 ' S' ' 25' ' ' LEU . 0.1 OUTLIER -139.22 -68.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 109.996 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.813 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.207 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' S' ' 42' ' ' LEU . 30.3 mm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 121.073 0.463 . . . . 0.0 111.766 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.641 ' CD2' HG23 ' S' ' 33' ' ' VAL . 2.6 m-30 -90.09 148.04 38.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.475 ' O ' HD23 ' S' ' 24' ' ' LEU . 10.2 Cg_endo -53.41 110.24 0.46 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.26 -178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' S' ' 46' ' ' ASP . 0.2 OUTLIER -41.21 -41.64 1.89 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.14 85.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 110.271 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.808 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 10.1 m-20 -60.25 -43.05 96.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.084 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.91 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -83.73 -16.1 46.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.551 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 1.079 HD13 HD23 ' S' ' 75' ' ' LEU . 17.5 tp -85.21 -9.29 57.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 161.58 43.21 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.808 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.9 143.89 16.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.697 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.702 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.6 Cg_exo -41.22 79.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.473 2.115 . . . . 0.0 112.047 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -75.94 159.15 81.44 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.9 -179.181 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.1 -153.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.239 2.626 . . . . 0.0 112.805 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -44.92 5.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.093 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.426 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -47.68 -28.15 5.01 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.841 -1.171 . . . . 0.0 110.222 178.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.97 HG22 ' CE1' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -79.14 108.8 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 114.594 -0.803 . . . . 0.0 109.428 178.137 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.438 ' CB ' ' HG2' ' S' ' 37' ' ' LYS . 3.1 m-20 -76.95 133.38 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -74.94 -0.32 9.8 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.517 2.144 . . . . 0.0 113.494 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.744 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -130.31 13.9 5.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.441 ' HD3' HD21 ' S' ' 36' ' ' LEU . 22.1 pttt -167.96 86.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.052 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.98 HD22 ' OH ' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -87.52 -39.84 14.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.622 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.732 ' HA ' HD11 ' S' ' 42' ' ' LEU . 2.1 pt-20 -45.14 -25.71 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.612 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -79.61 -21.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.98 ' OH ' HD22 ' S' ' 38' ' ' LEU . 7.7 p90 -115.86 33.47 5.48 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.0 115.86 11.52 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.774 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.642 HG23 HG13 ' S' ' 18' ' ' ILE . 0.7 OUTLIER -60.04 157.95 11.95 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.67 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -37.59 -32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.47 0.708 . . . . 0.0 112.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.64 -52.91 18.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.479 ' HA ' HD22 ' S' ' 21' ' ' LEU . 15.1 t0 -68.01 -27.03 66.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.793 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.721 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -75.22 -43.62 50.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.205 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.4 mt-10 -69.92 -45.69 66.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.712 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -20.33 57.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.35 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.814 HD21 ' CG ' ' S' ' 70' ' ' LYS . 4.9 mt -101.11 -6.83 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 18.5 m-20 65.95 13.34 9.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.602 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -133.02 -177.89 4.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.04 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.51 HG22 ' HB2' ' S' ' 57' ' ' GLU . 2.7 t -132.64 162.38 31.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.492 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.1 OUTLIER -55.49 -24.2 30.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.12 -9.19 43.44 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.736 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' S' ' 54' ' ' THR . 0.0 OUTLIER -95.54 -54.33 3.41 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.688 0.756 . . . . 0.0 109.108 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.6 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.2 m-30 -66.82 -34.35 77.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.022 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -41.02 -32.21 0.23 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.92 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.68 -33.9 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.864 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.78 140.14 93.26 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.84 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.864 ' HD2' HD23 ' S' ' 61' ' ' LEU . 13.0 Cg_exo -37.21 136.95 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.128 2.552 . . . . 0.0 112.537 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.403 ' HA ' ' CD ' ' S' ' 66' ' ' GLN . . . -62.03 -17.48 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.097 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.09 -40.54 12.21 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.591 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -44.61 96.34 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.523 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.459 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.4 pt20 -60.48 -42.16 95.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.843 HG22 ' CZ ' ' S' ' 76' ' ' PHE . 2.6 t -64.13 -41.09 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.68 ' O ' ' HB2' ' S' ' 72' ' ' ALA . 58.8 t30 -42.92 -40.65 3.04 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.6 mm? -80.57 -50.2 10.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.787 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.814 ' CG ' HD21 ' S' ' 51' ' ' LEU . 11.4 mttt -50.28 -59.85 3.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.429 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -68.21 -30.71 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -179.454 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' S' S ' 72' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' S' ' 68' ' ' ASN . . . -59.26 -32.88 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.967 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.95 5.0 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.265 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.15 66.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.336 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 1.079 HD23 HD13 ' S' ' 25' ' ' LEU . 12.4 mt -78.35 -87.44 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.843 ' CZ ' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.257 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.715 HD13 ' OG1' ' S' ' 43' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 3.0 m-30 -89.44 138.23 28.59 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.415 ' O ' HD23 ' S' ' 24' ' ' LEU . 10.6 Cg_endo -54.18 112.94 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.957 2.438 . . . . 0.0 113.145 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.518 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -42.28 -41.96 2.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.363 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.45 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.893 0.378 . . . . 0.0 111.399 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.551 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -61.75 -36.02 79.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.163 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.871 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -88.2 -19.5 26.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.11 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.789 HD13 ' CD2' ' S' ' 75' ' ' LEU . 17.3 tp -84.0 -6.16 59.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 174.22 33.7 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.551 ' HG2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.64 150.66 28.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.398 179.116 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.483 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 9.4 Cg_endo -51.77 78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.872 2.381 . . . . 0.0 111.831 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 1.07 HD22 HG21 ' S' ' 33' ' ' VAL . 0.2 OUTLIER -75.58 158.95 82.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.197 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.7 Cg_endo -60.4 -161.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.873 2.382 . . . . 0.0 111.47 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -101.22 -14.36 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.42 -23.17 12.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.105 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 1.07 HG21 HD22 ' S' ' 29' ' ' LEU . 31.0 m -89.32 127.94 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.927 -0.636 . . . . 0.0 110.779 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -99.54 108.37 50.35 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.647 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 1.3 Cg_endo -43.89 -36.17 7.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.714 2.276 . . . . 0.0 113.36 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.768 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -73.05 -8.82 57.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.768 ' HE2' HD21 ' S' ' 36' ' ' LEU . 0.4 OUTLIER -157.53 101.54 1.85 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.993 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.894 HD22 ' OH ' ' S' ' 41' ' ' TYR . 10.2 mt -87.84 -55.4 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.885 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.749 ' H ' ' HE3' ' S' ' 70' ' ' LYS . 18.4 pt-20 -38.95 -28.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.665 HG21 ' HD3' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -64.06 -33.11 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.894 ' OH ' HD22 ' S' ' 38' ' ' LEU . 34.6 p90 -103.61 36.44 2.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.718 HD21 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.6 126.32 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.715 178.239 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.715 ' OG1' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -61.04 -172.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.076 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.472 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.6 p30 -64.58 -36.82 85.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.58 -52.87 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.473 ' HA ' HD22 ' S' ' 21' ' ' LEU . 21.0 t0 -63.73 -28.92 70.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.705 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -69.49 -49.91 50.3 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.202 178.004 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 9.9 mt-10 -58.72 -41.3 86.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.873 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -82.88 -11.13 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.402 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' S' ' 46' ' ' ASP . . . -93.68 -61.17 1.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.819 0.342 . . . . 0.0 111.448 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.827 HD22 ' CE2' ' S' ' 58' ' ' TYR . 4.7 mp -124.05 0.09 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 13.0 m-20 69.12 13.23 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.736 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.524 ' HG2' ' CD1' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -115.02 -159.81 0.72 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.608 179.346 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 6.6 p -133.07 173.7 11.14 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.975 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.2 ttt180 -76.75 -32.94 58.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.036 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -89.05 -8.55 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.818 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.448 ' CG ' HD12 ' S' ' 61' ' ' LEU . 0.6 OUTLIER -93.88 -55.8 3.1 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.77 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.827 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.3 m-30 -63.4 -30.29 71.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.301 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.0 OUTLIER -53.87 -26.68 25.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.263 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.73 -32.57 5.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 111.355 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.448 HD12 ' CG ' ' S' ' 57' ' ' GLU . 19.0 mt -60.75 161.72 14.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 1.1 Cg_endo -45.99 151.49 1.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.02 2.48 . . . . 0.0 112.269 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.756 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -85.59 -18.15 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.89 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.506 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.25 -42.24 11.11 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -44.94 96.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.467 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.14 -35.69 81.12 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.946 HG22 ' CE1' ' S' ' 76' ' ' PHE . 6.2 t -66.35 -42.12 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.498 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 39.2 t30 -46.43 -32.52 3.32 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.441 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.569 ' CB ' HD23 ' S' ' 51' ' ' LEU . 2.8 mm? -83.71 -46.82 11.85 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.798 ' CD ' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -58.65 -53.57 56.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -60.39 -40.14 89.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.29 81.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -89.8 -25.21 21.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.685 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.87 1.32 30.36 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.385 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' S' ' 25' ' ' LEU . 20.3 mt -60.62 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 117.308 0.554 . . . . 0.0 109.904 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.946 ' CE1' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.375 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.814 ' HB ' HG23 ' S' ' 43' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.51 0.195 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.59 ' HD2' HG23 ' S' ' 33' ' ' VAL . 7.7 m-30 -89.71 124.93 62.73 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -45.06 137.94 9.44 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.266 2.644 . . . . 0.0 113.614 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -48.78 -47.03 42.3 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.749 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.66 73.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.043 0.449 . . . . 0.0 110.864 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.824 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -47.58 -23.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.331 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.678 ' HB2' HD23 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -115.36 -28.95 6.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.011 0.434 . . . . 0.0 111.512 -179.331 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.672 HD13 HD23 ' S' ' 75' ' ' LEU . 18.8 tp -70.42 -26.29 63.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 167.02 45.8 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.824 ' HD2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 140.16 13.68 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 119.605 -0.236 . . . . 0.0 110.408 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.617 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 88.5 Cg_exo -19.53 78.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.887 3.058 . . . . 0.0 113.272 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.686 HD12 ' O ' ' S' ' 30' ' ' PRO . 2.1 pp -73.19 148.75 88.97 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.694 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.686 ' O ' HD12 ' S' ' 29' ' ' LEU . 39.0 Cg_endo -85.52 -158.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.627 2.885 . . . . 0.0 112.261 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.36 -37.02 10.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.64 -22.93 12.54 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 119.526 -1.321 . . . . 0.0 110.19 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.765 HG22 ' CD1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -86.97 108.3 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.292 178.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.56 ' HB2' HD21 ' S' ' 36' ' ' LEU . 16.1 m-20 -92.53 121.26 66.61 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.334 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.423 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 28.6 Cg_endo -62.87 -20.91 72.55 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.641 2.227 . . . . 0.0 114.319 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.597 HD22 ' N ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -63.17 -15.68 57.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.534 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.528 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -176.85 121.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.518 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.799 HD13 ' CA ' ' S' ' 75' ' ' LEU . 1.8 mp -87.71 -41.22 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.678 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.9 OUTLIER -39.91 -27.95 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.528 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.6 pt -67.54 -30.8 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.797 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 3.9 p90 -111.45 41.13 1.94 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -138.85 115.85 10.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.294 177.62 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.814 HG23 ' HB ' ' S' ' 18' ' ' ILE . 13.3 p -60.25 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.181 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.429 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.3 p-10 -64.25 -36.56 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.42 -47.88 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 21.5 t0 -66.49 -31.88 72.88 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.66 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -69.24 -46.43 67.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.746 177.869 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.4 -37.39 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.02 -25.68 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -51.55 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.817 HD21 ' HG3' ' S' ' 70' ' ' LYS . 1.4 mp -141.51 8.99 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 64.59 14.8 9.25 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.586 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -113.45 -161.35 0.76 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.94 152.22 51.77 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.512 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 6.9 tpt180 -58.63 -24.41 61.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.704 -0.398 . . . . 0.0 109.984 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.31 -9.49 50.31 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.352 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.664 ' HG3' HD12 ' S' ' 61' ' ' LEU . 3.9 tp10 -95.18 -55.82 2.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.784 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.27 -29.16 69.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.005 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.9 m-20 -55.23 -24.0 25.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.163 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.78 -31.34 6.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.617 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.664 HD12 ' HG3' ' S' ' 57' ' ' GLU . 0.5 OUTLIER -60.76 167.01 3.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.508 ' CD ' HD23 ' S' ' 61' ' ' LEU . 50.9 Cg_exo -52.69 162.6 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.394 2.063 . . . . 0.0 111.924 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.846 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.56 -24.42 24.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.517 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -43.51 10.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.441 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -60.75 -40.77 93.68 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.543 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.81 -44.87 95.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.908 HG13 ' OXT' ' S' ' 76' ' ' PHE . 74.6 t -63.73 -38.33 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.54 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -41.79 -56.84 2.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.879 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' S' ' 51' ' ' LEU . 3.5 tp -72.42 -21.11 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.389 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.874 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -66.96 -54.74 18.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 110.204 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.431 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 6.4 mttt -59.28 -33.22 70.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.268 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.91 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.514 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -14.47 34.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.43 -10.99 28.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.625 -0.797 . . . . 0.0 113.586 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.799 ' CA ' HD13 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -81.26 -71.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.908 ' OXT' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.213 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.5 mp . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.627 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 10.3 m-85 -97.58 136.64 21.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.865 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.4 Cg_endo -48.1 119.26 3.78 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.845 2.364 . . . . 0.0 112.549 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.662 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -46.83 -41.01 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.113 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.23 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.303 0.573 . . . . 0.0 110.813 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.4 OUTLIER -49.2 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.38 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.859 HD13 ' OH ' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -115.09 -25.12 8.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.861 0.363 . . . . 0.0 111.729 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 18.5 tp -68.34 -9.5 48.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.12 42.2 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.881 0.372 . . . . 0.0 111.269 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.72 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.7 tmt_? -150.63 143.45 16.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.72 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 91.7 Cg_exo -42.13 83.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.425 2.083 . . . . 0.0 112.04 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.861 HD13 ' CG1' ' S' ' 33' ' ' VAL . 3.1 pp -79.43 155.76 76.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.589 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.627 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 65.8 Cg_endo -69.23 -162.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.773 2.982 . . . . 0.0 113.262 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -97.36 -37.79 9.89 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.456 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.76 -28.08 5.09 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.861 ' CG1' HD13 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -75.48 109.11 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.094 177.504 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' S' ' 37' ' ' LYS . 15.0 m-20 -86.76 141.99 34.17 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.809 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.78 -43.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.73 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.608 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.3 OUTLIER -78.63 -2.75 40.56 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.82 0.343 . . . . 0.0 111.607 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.608 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -158.47 87.86 0.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.363 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.712 HD13 ' CB ' ' S' ' 75' ' ' LEU . 1.9 mp -87.3 -53.05 5.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.825 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' S' ' 51' ' ' LEU . 0.5 OUTLIER -41.12 -29.65 0.13 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.187 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.558 ' C ' HD13 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -67.77 -29.66 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.859 ' OH ' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -86.17 9.75 16.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.822 HD23 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -127.37 127.62 44.51 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.247 -179.167 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.702 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -64.09 -170.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 178.551 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.518 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 32.0 p-10 -67.43 -36.18 80.72 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.877 0.471 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.92 -53.42 46.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 7.3 t0 -64.86 -35.07 79.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.702 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.26 -46.07 90.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.269 177.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.7 mt-10 -56.74 -51.67 67.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.729 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -79.83 -12.41 59.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 -60.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.813 HD11 ' HG3' ' S' ' 70' ' ' LYS . 5.6 mt -110.9 -6.68 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 14.8 m-20 67.94 13.45 9.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.58 0.229 . . . . 0.0 111.076 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.662 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.26 -160.14 0.91 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.48 155.11 50.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.586 HH22 HD11 ' S' ' 18' ' ' ILE . 28.5 ttm180 -59.39 -26.64 65.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.06 -9.08 44.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.242 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.7 ' OE2' HD11 ' S' ' 61' ' ' LEU . 0.0 OUTLIER -92.0 -52.66 4.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.73 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -67.44 -30.48 70.23 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.129 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -50.92 -31.81 18.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.457 179.793 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.83 -32.05 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.595 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.7 HD11 ' OE2' ' S' ' 57' ' ' GLU . 18.6 mt -60.78 162.13 13.02 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.433 ' HG2' ' CB ' ' S' ' 65' ' ' LYS . 3.7 Cg_endo -48.27 159.22 0.77 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.943 2.428 . . . . 0.0 111.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.684 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.92 -22.46 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.515 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.21 -46.15 8.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -62.01 -42.21 98.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.524 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 12.1 pt20 -62.68 -39.14 93.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.684 HG23 ' O ' ' S' ' 63' ' ' ALA . 28.3 t -69.63 -39.94 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.511 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 59.0 t30 -41.13 -52.98 3.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.731 HD23 ' O ' ' S' ' 51' ' ' LEU . 7.6 tp -75.55 -26.1 57.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.266 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.813 ' HG3' HD11 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.782 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 83.5 mttt -55.72 -48.19 75.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.605 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.84 -25.99 8.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.406 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 73' ' ' LYS . . . . . 0.538 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.0 OUTLIER -89.79 -19.62 24.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -6.81 28.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.712 ' CB ' HD13 ' S' ' 38' ' ' LEU . 0.7 OUTLIER -90.81 -68.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.723 0.297 . . . . 0.0 110.277 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.692 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.493 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.644 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.603 ' CD2' HG23 ' S' ' 33' ' ' VAL . 4.6 m-30 -89.94 141.62 28.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.38 108.03 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.148 2.565 . . . . 0.0 113.049 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.1 pp -38.31 -35.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 22' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -58.87 -47.22 85.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.61 ' O ' HD12 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -53.98 -44.39 70.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.09 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.655 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -84.48 -15.1 47.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.334 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.889 HD13 HD23 ' S' ' 75' ' ' LEU . 11.4 tp -105.33 38.83 1.86 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 96.46 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.568 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.87 134.5 9.08 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 178.192 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.568 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.5 Cg_exo -30.77 85.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.237 2.625 . . . . 0.0 112.925 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.61 HD12 ' O ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -81.44 159.13 67.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.116 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 62.9 Cg_endo -80.03 -159.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.053 2.502 . . . . 0.0 111.839 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -92.86 -40.98 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.698 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.481 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.18 -26.68 6.6 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.44 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.857 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -80.65 108.79 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 114.893 -0.654 . . . . 0.0 109.462 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.2 m-20 -84.92 135.48 39.82 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -75.23 -1.28 11.07 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.524 2.149 . . . . 0.0 113.642 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.678 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -121.11 16.13 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.644 ' HB2' HD12 ' S' ' 40' ' ' ILE . 19.5 pttt -172.02 82.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.133 0.492 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 1.017 HD22 ' OH ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.04 -49.29 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.535 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.753 ' HA ' HD11 ' S' ' 42' ' ' LEU . 2.9 pt-20 -45.01 -28.23 0.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.3 0.572 . . . . 0.0 110.188 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -63.57 -43.91 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.231 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 1.017 ' OH ' HD22 ' S' ' 38' ' ' LEU . 3.9 p90 -100.33 36.48 1.87 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.753 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.4 OUTLIER -138.26 129.18 26.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.605 178.41 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.712 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -65.62 -174.08 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.847 178.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.494 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.1 p-10 -63.89 -34.95 79.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.97 -53.97 26.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.44 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 51.1 t0 -64.07 -32.65 74.29 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.751 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -65.53 -48.24 73.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.302 178.075 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.52 -36.98 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -16.12 36.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.661 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -83.52 -61.22 1.89 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.711 0.291 . . . . 0.0 111.338 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.926 HD21 ' CD ' ' S' ' 70' ' ' LYS . 1.6 mp -132.49 14.69 4.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.388 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.41 13.91 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.473 0.178 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.625 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -114.9 -167.18 1.19 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -133.47 160.97 35.83 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.446 ' CA ' ' CE2' ' S' ' 47' ' ' PHE . 9.1 ttt180 -60.8 -26.62 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.25 -9.03 43.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.44 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -48.87 6.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.75 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.4 m-30 -72.68 -29.67 63.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.736 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -48.8 -22.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.651 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.74 -37.08 5.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 111.252 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.577 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.97 162.17 13.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.577 ' HD2' HD23 ' S' ' 61' ' ' LEU . 49.0 Cg_exo -54.3 164.15 3.01 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.191 1.927 . . . . 0.0 111.697 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.934 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -84.28 -24.14 30.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.865 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.44 -41.04 11.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.511 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.509 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -58.79 -40.32 83.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.465 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.1 pt20 -64.79 -42.34 95.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 1.009 HG22 ' CE2' ' S' ' 76' ' ' PHE . 62.5 t -62.46 -40.23 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' S' ' 64' ' ' TRP . 51.1 t30 -40.85 -55.04 2.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.106 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.789 HD23 ' O ' ' S' ' 51' ' ' LEU . 6.4 tp -69.46 -25.62 64.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.926 ' CD ' HD21 ' S' ' 51' ' ' LEU . 2.3 tptm -61.06 -68.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.709 ' HE3' HG12 ' S' ' 67' ' ' VAL . 28.1 mttt -47.24 -34.22 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.525 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.41 65.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -99.22 -25.56 14.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.686 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.35 16.89 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.614 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.889 HD23 HD13 ' S' ' 25' ' ' LEU . 1.0 OUTLIER -79.42 -81.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.288 0.544 . . . . 0.0 110.506 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 1.009 ' CE2' HG22 ' S' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.265 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.529 HG12 ' HB ' ' S' ' 43' ' ' THR . 1.5 mp . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.612 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 2.9 m-85 -97.82 138.56 21.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.013 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.449 ' O ' HD23 ' S' ' 24' ' ' LEU . 9.7 Cg_endo -51.94 115.06 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.058 2.505 . . . . 0.0 113.268 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.559 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.3 OUTLIER -42.29 -41.06 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.417 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -52.35 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 0.0 111.511 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.655 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -61.32 -31.34 71.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.918 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -90.93 -22.89 20.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.842 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.613 HD11 ' O ' ' S' ' 73' ' ' LYS . 22.3 tp -69.35 -18.08 63.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 45.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.732 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.87 154.23 34.32 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.961 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.517 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.3 Cg_endo -43.67 71.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.225 2.617 . . . . 0.0 111.882 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.881 HD13 ' CG1' ' S' ' 33' ' ' VAL . 2.2 pp -71.56 153.79 93.48 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.303 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.612 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.5 Cg_endo -59.92 -163.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.96 3.107 . . . . 0.0 113.267 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 31' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' S' ' 33' ' ' VAL . 3.5 tt0 -101.08 -37.81 8.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.64 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.41 -27.41 4.1 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.892 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -74.95 117.55 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.146 -1.027 . . . . 0.0 109.139 177.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.451 ' HB3' HD21 ' S' ' 36' ' ' LEU . 0.6 OUTLIER -95.07 128.57 38.45 Favored Pre-proline 0 C--N 1.324 -0.517 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.853 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 61.1 Cg_endo -73.0 -21.53 20.63 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.507 2.138 . . . . 0.0 113.287 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.641 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -75.37 -14.41 60.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 111.659 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.513 ' CD ' HD23 ' S' ' 36' ' ' LEU . 0.3 OUTLIER -173.75 114.41 0.21 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' S' ' 41' ' ' TYR . 3.2 mt -87.42 -38.22 16.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.729 ' HA ' HD21 ' S' ' 42' ' ' LEU . 2.5 pt-20 -43.49 -25.02 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.437 ' CG2' ' HG3' ' S' ' 37' ' ' LYS . 2.0 pp -69.92 -27.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.918 ' HE1' HD13 ' S' ' 24' ' ' LEU . 22.8 p90 -109.24 39.71 2.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.742 HD13 ' HA ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.61 115.52 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.529 ' HB ' HG12 ' S' ' 18' ' ' ILE . 1.8 t -60.68 154.8 20.54 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' S' ' 48' ' ' GLU . 4.0 p-10 -33.9 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.698 0.799 . . . . 0.0 112.295 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -66.99 -52.99 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' S' ' 43' ' ' THR . 58.6 t0 -68.59 -33.55 74.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.777 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.742 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -66.21 -42.34 88.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.544 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 44' ' ' ASP . 4.6 mt-10 -69.46 -35.97 76.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -84.71 -14.26 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.771 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -90.36 -61.21 1.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.388 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.922 HD22 ' CE2' ' S' ' 58' ' ' TYR . 3.5 mp -125.81 5.55 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.441 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.97 13.47 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.465 0.174 . . . . 0.0 110.676 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' S' ' 58' ' ' TYR . 3.4 tpp -112.67 -169.25 1.44 Allowed 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 166.6 22.05 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 21.9 ttt180 -65.8 -31.43 72.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.347 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -8.87 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.901 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' S' ' 53' ' ' MET . 1.2 tp10 -95.3 -57.64 2.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.922 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.2 m-30 -62.04 -28.88 69.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -50.68 -25.81 4.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.306 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.93 -33.37 5.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.707 0.289 . . . . 0.0 111.623 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 9.2 mt -60.81 165.06 6.38 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 62.4 Cg_exo -50.17 157.55 2.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.174 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.814 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -86.15 -19.35 30.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.521 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.9 -46.07 8.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -58.19 -42.71 86.71 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.501 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -64.16 -44.17 92.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.814 HG23 ' O ' ' S' ' 63' ' ' ALA . 50.6 t -60.88 -39.17 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.521 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.7 t30 -43.56 -57.57 3.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.451 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.718 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.893 ' CG ' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -75.43 -49.1 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' S' ' 76' ' ' PHE . 54.9 mttt -61.53 -39.99 93.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.59 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -32.0 59.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.407 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 73' ' ' LYS . . . . . 0.613 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.1 OUTLIER -90.0 -23.2 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.33 17.74 8.58 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.762 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.771 HD11 ' HB1' ' S' ' 50' ' ' ALA . 0.2 OUTLIER -107.56 -69.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.118 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.797 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.8 HG21 ' N ' ' S' ' 43' ' ' THR . 2.5 pt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.975 0.416 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 7.3 m-30 -89.85 139.66 27.68 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' S' ' 23' ' ' ASP . 1.7 Cg_endo -45.68 100.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.925 2.417 . . . . 0.0 113.39 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.624 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.7 OUTLIER -37.1 -32.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 110.878 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.615 ' HA ' ' CB ' ' S' ' 27' ' ' ARG . 4.1 m-20 -70.03 -22.81 63.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.829 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -95.42 -11.84 26.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.241 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.827 HD13 ' CD2' ' S' ' 75' ' ' LEU . 12.3 tp -99.38 2.67 45.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 164.51 44.34 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.498 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.642 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.2 tmt_? -150.77 145.39 18.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.037 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.642 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 19.0 Cg_endo -57.53 64.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.634 2.222 . . . . 0.0 111.851 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.795 HD13 ' HA ' ' S' ' 24' ' ' LEU . 1.1 pt? -65.09 159.22 66.75 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.612 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 63.2 Cg_endo -71.35 -161.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.042 2.495 . . . . 0.0 112.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.88 -11.11 20.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.957 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.495 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.72 -24.97 13.98 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.048 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.779 HG21 ' CD1' ' S' ' 29' ' ' LEU . 17.0 m -82.44 108.94 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.875 -0.662 . . . . 0.0 110.274 178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.479 ' HB2' ' HG2' ' S' ' 37' ' ' LYS . 3.0 m-20 -81.91 105.41 4.44 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.455 ' HA ' HD21 ' S' ' 38' ' ' LEU . 2.2 Cg_endo -42.52 -47.05 7.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.034 2.489 . . . . 0.0 113.752 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.674 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -63.04 -15.59 57.02 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.331 -179.574 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.875 ' HG3' HD13 ' S' ' 40' ' ' ILE . 27.6 pttt -149.57 100.09 2.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.507 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.748 HD13 ' OH ' ' S' ' 41' ' ' TYR . 1.1 mt -87.12 -46.67 9.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.496 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.713 ' HA ' HD11 ' S' ' 42' ' ' LEU . 3.6 pt-20 -42.05 -24.95 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.875 HD13 ' HG3' ' S' ' 37' ' ' LYS . 18.2 pt -60.13 -38.04 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.829 ' HE1' HD13 ' S' ' 24' ' ' LEU . 38.6 p90 -103.61 36.54 2.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.713 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.61 124.17 19.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.8 ' N ' HG21 ' S' ' 18' ' ' ILE . 7.9 t -66.93 -168.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.06 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.436 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -66.5 -37.8 85.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.94 -52.53 55.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.456 ' OD2' ' HB3' ' S' ' 42' ' ' LEU . 56.7 t0 -64.84 -35.37 80.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.669 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -64.09 -45.92 86.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.084 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 48' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 6.0 mt-10 -60.34 -35.84 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.812 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -24.31 30.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' S' ' 51' ' ' LEU . . . -77.37 -60.94 2.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.992 HD22 ' CE2' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -133.29 8.11 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.436 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.489 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 14.7 m-20 66.62 15.11 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.589 0.233 . . . . 0.0 110.842 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -105.52 -166.23 1.19 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.675 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 158.1 44.04 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.623 0.249 . . . . 0.0 110.805 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 7.5 ttm180 -61.26 -29.76 70.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.029 0.442 . . . . 0.0 109.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -88.99 -8.39 54.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.787 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.85 -54.79 3.48 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.679 0.752 . . . . 0.0 109.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.992 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.4 m-30 -68.25 -26.63 65.78 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.859 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -48.55 -27.22 2.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.532 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.62 -28.92 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.62 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.747 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.69 151.63 70.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.799 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.747 ' HD2' HD23 ' S' ' 61' ' ' LEU . 4.3 Cg_exo -41.33 142.8 0.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.275 2.65 . . . . 0.0 112.214 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.906 ' O ' HG13 ' S' ' 67' ' ' VAL . . . -74.33 -19.14 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.773 ' O ' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER -90.39 -42.78 10.72 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -63.19 -37.77 88.55 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.693 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -65.23 -42.03 93.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.968 HG12 ' CZ ' ' S' ' 76' ' ' PHE . 3.2 m -69.46 -37.75 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.59 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 66.6 t30 -42.24 -41.54 2.77 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.853 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.657 ' HB3' ' HB3' ' S' ' 51' ' ' LEU . 0.8 OUTLIER -79.52 -45.61 18.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.486 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.844 ' HB3' ' H ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -68.36 -32.96 73.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.792 0.33 . . . . 0.0 110.457 -179.476 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.429 ' HD2' HG23 ' S' ' 67' ' ' VAL . 2.3 mtpt -64.58 -39.95 94.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.948 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.11 70.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.484 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -89.9 -25.29 21.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.41 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.43 24.16 7.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.533 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.827 ' CD2' HD13 ' S' ' 25' ' ' LEU . 4.2 mt -94.39 -82.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.968 ' CZ ' HG12 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.617 HG23 ' O ' ' S' ' 41' ' ' TYR . 5.1 mp . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 121.179 0.514 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 8.0 m-30 -92.75 134.41 27.71 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -49.0 115.51 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.9 2.4 . . . . 0.0 113.353 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.578 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -40.84 -32.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.074 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.58 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.144 0.497 . . . . 0.0 110.558 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.687 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 2.6 m-20 -61.14 -24.59 66.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.184 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.889 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -102.32 -9.86 20.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.543 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.638 HD13 HD21 ' S' ' 75' ' ' LEU . 11.6 tp -100.66 4.85 43.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 162.49 42.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.78 0.324 . . . . 0.0 111.485 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.687 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.88 141.55 14.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.665 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 10.4 Cg_endo -52.71 71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.694 2.263 . . . . 0.0 112.078 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 1.075 HD12 HG21 ' S' ' 33' ' ' VAL . 0.6 OUTLIER -71.86 159.36 85.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.48 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.54 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 90.7 Cg_endo -77.41 -160.86 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.9 2.4 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.18 -6.97 22.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.933 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.461 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.87 -25.96 17.2 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 1.075 HG21 HD12 ' S' ' 29' ' ' LEU . 15.2 m -76.29 157.45 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.284 -0.958 . . . . 0.0 109.784 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.52 ' HB3' HD22 ' S' ' 36' ' ' LEU . 1.4 m-20 -125.22 108.65 27.2 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.455 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 23.0 Cg_endo -60.42 -13.74 26.55 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.762 2.308 . . . . 0.0 114.393 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.586 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.5 OUTLIER -77.89 -8.29 57.87 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 111.733 -179.588 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.586 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER 171.49 89.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' S' ' 75' ' ' LEU . 8.1 mt -56.69 -30.32 63.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.704 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -39.59 -26.96 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -70.47 -36.34 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.419 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.889 ' CE1' HD13 ' S' ' 24' ' ' LEU . 52.8 p90 -97.53 35.41 1.65 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.3 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.677 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.58 ' H ' HG21 ' S' ' 18' ' ' ILE . 5.1 t -63.04 -170.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.496 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 21.4 p-10 -65.75 -32.74 74.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.35 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.64 -49.02 67.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 37.2 t0 -67.74 -38.56 83.67 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.705 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.6 OUTLIER -62.77 -42.16 99.56 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.212 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.34 -46.06 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.344 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.0 -16.59 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.01 -23.85 14.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' S' ' 58' ' ' TYR . 12.7 mt -141.57 -4.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' S' ' 47' ' ' PHE . 5.3 m-20 62.3 13.59 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.628 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -127.4 -159.28 0.93 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.543 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 1.1 p -133.74 155.91 48.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.816 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 1.0 OUTLIER -59.63 -27.73 66.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.95 -9.26 54.14 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.652 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.514 ' HG3' HD12 ' S' ' 61' ' ' LEU . 1.4 tt0 -95.14 -57.86 2.31 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.746 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -60.43 -28.79 68.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.25 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -54.44 -25.51 25.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.281 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.58 -29.3 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.76 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.578 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.3 OUTLIER -60.86 168.6 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.719 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.578 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.38 160.23 3.71 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.065 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.824 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.07 -21.03 24.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.663 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.48 -43.59 10.15 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.567 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.4 OUTLIER -60.84 -42.86 98.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.737 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.591 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.97 -43.26 99.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.824 HG23 ' O ' ' S' ' 63' ' ' ALA . 77.7 t -64.06 -39.79 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.56 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 57.7 t30 -43.17 -55.86 3.72 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.128 0.489 . . . . 0.0 111.22 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.429 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 3.5 mm? -69.99 -38.72 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.755 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.765 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -63.29 -47.05 83.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.766 -179.2 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.43 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 16.4 mttp -57.51 -35.8 70.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -26.69 66.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.334 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -17.38 28.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.29 -11.15 28.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.827 -0.702 . . . . 0.0 113.259 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' S' ' 38' ' ' LEU . 3.9 mt -84.18 -71.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.765 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.284 179.155 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.621 HG21 ' H ' ' S' ' 43' ' ' THR . 5.3 mp . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.277 0.561 . . . . 0.0 111.945 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.629 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 19.3 m-30 -98.59 134.42 21.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.66 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.3 Cg_endo -48.51 136.91 26.2 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.862 2.374 . . . . 0.0 112.765 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.7 OUTLIER -57.95 -45.24 86.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.258 -179.434 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.93 72.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.427 0.632 . . . . 0.0 110.907 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.514 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.6 OUTLIER -50.14 -21.42 1.29 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.398 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -115.64 -27.45 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.413 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.669 HD12 HD21 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -62.41 -13.52 30.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.239 -179.531 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 166.45 47.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 179.675 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.735 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.48 142.34 15.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.766 -179.341 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.735 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 96.5 Cg_exo -40.48 79.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.399 2.066 . . . . 0.0 111.837 178.518 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.865 HD22 HG11 ' S' ' 33' ' ' VAL . 2.4 pp -76.29 155.64 83.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.489 -1.232 . . . . 0.0 112.651 -178.642 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.629 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 55.8 Cg_endo -66.46 -162.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.861 3.041 . . . . 0.0 113.21 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -96.26 -42.5 8.14 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.44 -26.99 3.89 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 119.804 -1.189 . . . . 0.0 110.216 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -81.15 111.24 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 114.786 -0.707 . . . . 0.0 109.645 178.304 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.631 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.7 m-20 -96.6 126.56 42.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.18 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.5 ' HA ' HD21 ' S' ' 38' ' ' LEU . 19.3 Cg_endo -58.18 -38.37 91.56 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.774 2.316 . . . . 0.0 113.58 -178.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.815 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -76.35 -20.58 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.825 -179.25 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.73 ' O ' HD12 ' S' ' 40' ' ' ILE . 0.2 OUTLIER -132.74 91.85 2.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 110.233 179.455 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.796 HD22 ' CE2' ' S' ' 41' ' ' TYR . 8.1 mt -88.14 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.79 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -39.2 -25.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.695 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.9 HD13 ' N ' ' S' ' 41' ' ' TYR . 0.0 OUTLIER -77.45 -23.81 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.841 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.975 ' CD2' HG22 ' S' ' 33' ' ' VAL . 0.1 OUTLIER -95.77 25.7 4.48 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.651 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.14 115.91 11.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.23 179.751 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.691 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.9 t -59.7 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.991 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.9 p30 -68.0 -39.35 83.24 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 122.731 0.412 . . . . 0.0 110.38 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.34 -51.53 65.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 12.5 t0 -66.47 -35.42 80.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.336 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.98 -43.69 98.1 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 178.082 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.14 -43.05 77.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.439 -179.195 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.1 -37.15 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' S' ' 70' ' ' LYS . 1.4 mt -140.01 1.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.249 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 61.41 13.75 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.334 -0.147 . . . . 0.0 111.183 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.642 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.71 -161.17 0.83 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.576 179.472 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 2.8 p -133.97 151.75 51.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.2 -25.71 64.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.513 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.95 -8.99 47.72 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' S' ' 61' ' ' LEU . 2.1 tt0 -93.32 -56.53 2.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.372 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.664 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -62.41 -31.69 72.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.043 177.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -51.35 -26.07 7.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.289 179.558 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.42 -30.9 5.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.654 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.46 HD12 ' HG2' ' S' ' 57' ' ' GLU . 7.8 mt -60.78 159.13 27.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.712 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.427 ' HD2' HD22 ' S' ' 61' ' ' LEU . 67.9 Cg_exo -49.84 143.75 22.55 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.38 2.054 . . . . 0.0 111.851 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.813 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -74.74 -15.0 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.939 -179.469 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.72 -45.82 8.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.37 -42.02 94.94 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.494 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' S' S ' 66' ' ' GLN . . . . . 0.549 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 14.7 pt20 -62.71 -44.09 97.12 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.888 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.852 HG13 ' O ' ' S' ' 76' ' ' PHE . 77.7 t -63.26 -38.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.264 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.559 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.5 t30 -45.86 -60.37 2.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 111.502 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' S' ' 69' ' ' LEU . 9.1 tp -72.35 -12.8 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.855 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.886 ' HG2' HD11 ' S' ' 51' ' ' LEU . 30.9 mtpt -74.49 -46.06 41.95 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.428 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 20.1 mttt -63.3 -37.46 87.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.139 179.222 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.57 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -16.29 30.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.23 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.36 -11.52 28.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.484 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' S' ' 38' ' ' LEU . 7.8 mt -81.24 -73.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.767 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.852 ' O ' HG13 ' S' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 O-C-N 124.363 1.039 . . . . 0.0 111.95 178.539 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 18' ' ' ILE . . . . . 0.532 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 . . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 19' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.8 m-30 -93.85 140.09 22.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.832 179.365 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 20' ' ' PRO . . . . . 0.457 ' O ' HD23 ' S' ' 24' ' ' LEU . 5.9 Cg_endo -47.73 106.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.266 2.644 . . . . 0.0 113.515 -178.529 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 21' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -40.23 -36.26 0.5 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.232 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.18 77.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.923 0.392 . . . . 0.0 111.232 -179.354 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 23' ' ' ASP . . . . . 0.587 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.4 OUTLIER -65.15 -27.38 68.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -179.103 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 24' ' ' LEU . . . . . 0.885 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -95.51 -17.71 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.04 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 25' ' ' LEU . . . . . 0.674 HD11 ' O ' ' S' ' 73' ' ' LYS . 7.7 tp -81.76 -10.66 59.29 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.155 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 26' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 39.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 27' ' ' ARG . . . . . 0.698 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.85 154.0 34.09 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.238 179.133 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 28' ' ' PRO . . . . . 0.521 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.2 Cg_endo -44.89 72.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.244 2.629 . . . . 0.0 112.353 178.588 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 29' ' ' LEU . . . . . 0.934 HD13 ' CG1' ' S' ' 33' ' ' VAL . 2.6 pp -69.71 155.16 94.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.547 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 30' ' ' PRO . . . . . 0.578 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 68.2 Cg_endo -70.94 -162.95 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.388 2.725 . . . . 0.0 113.372 -179.107 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -93.1 -40.01 10.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.583 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 32' ' ' GLY . . . . . 0.471 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -45.73 -29.87 3.2 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 177.958 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 33' ' ' VAL . . . . . 0.945 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -74.08 113.87 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.211 -0.994 . . . . 0.0 108.818 177.366 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 34' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' S' ' 36' ' ' LEU . 4.6 m-20 -90.33 126.74 55.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.219 -178.881 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 35' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 65.4 Cg_endo -73.68 -16.38 23.81 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.588 2.192 . . . . 0.0 113.579 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 36' ' ' LEU . . . . . 0.631 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -78.7 -14.36 59.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.669 0.271 . . . . 0.0 111.644 -179.623 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 37' ' ' LYS . . . . . 0.503 ' N ' HD22 ' S' ' 36' ' ' LEU . 3.2 pttt -177.72 114.34 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 38' ' ' LEU . . . . . 0.763 HD22 ' OH ' ' S' ' 41' ' ' TYR . 2.5 mt -87.46 -36.34 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.879 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 39' ' ' GLU . . . . . 0.678 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -44.73 -25.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.672 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 40' ' ' ILE . . . . . 0.435 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -68.33 -38.37 79.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.828 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 41' ' ' TYR . . . . . 0.945 ' CZ ' HG22 ' S' ' 33' ' ' VAL . 27.3 p90 -96.25 35.61 1.43 Allowed 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 42' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.4 115.54 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.596 177.429 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 43' ' ' THR . . . . . 0.672 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -60.87 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.09 179.454 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 44' ' ' ASP . . . . . 0.43 ' H ' HG22 ' S' ' 43' ' ' THR . 20.7 p-10 -66.62 -36.91 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.247 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.61 -50.99 55.43 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.946 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 46' ' ' ASP . . . . . 0.417 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 14.9 t0 -65.4 -31.83 73.14 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.163 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 47' ' ' PHE . . . . . 0.672 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.09 -47.03 69.33 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.292 177.995 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.59 -51.74 68.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.651 -178.988 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -75.18 -15.66 60.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.28 -61.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 51' ' ' LEU . . . . . 0.827 HD22 ' HE2' ' S' ' 58' ' ' TYR . 2.3 mt -109.17 -9.85 15.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.919 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 52' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' S' ' 47' ' ' PHE . 3.4 m-20 70.11 13.48 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.519 0.199 . . . . 0.0 111.181 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 53' ' ' MET . . . . . 0.63 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -119.88 -159.94 0.8 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.449 179.378 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 54' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.36 159.12 41.24 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.582 179.85 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 55' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.6 OUTLIER -62.18 -28.45 69.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.76 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -92.22 -8.96 43.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.441 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 0.0 OUTLIER -90.56 -49.76 6.31 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.605 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 58' ' ' TYR . . . . . 0.827 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -71.36 -32.17 68.19 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.333 178.419 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 59' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.1 m-20 -51.15 -28.07 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.295 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.34 -34.96 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.506 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 61' ' ' LEU . . . . . 0.544 HD22 ' HD2' ' S' ' 62' ' ' PRO . 7.8 mt -60.69 160.53 18.94 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.468 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 62' ' ' PRO . . . . . 0.544 ' HD2' HD22 ' S' ' 61' ' ' LEU . 77.7 Cg_exo -49.35 161.67 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.256 1.971 . . . . 0.0 111.82 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 63' ' ' ALA . . . . . 0.855 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -84.2 -20.24 32.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.673 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 64' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.35 -43.87 10.05 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.563 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 65' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.09 96.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.566 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.92 -41.59 97.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.004 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 67' ' ' VAL . . . . . 0.855 HG23 ' O ' ' S' ' 63' ' ' ALA . 97.4 t -66.44 -39.36 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 68' ' ' ASN . . . . . 0.53 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -40.42 -50.45 2.87 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.528 179.058 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 69' ' ' LEU . . . . . 0.731 ' HB3' HD23 ' S' ' 51' ' ' LEU . 1.8 mm? -77.01 -28.93 55.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 70' ' ' LYS . . . . . 0.82 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.6 mtmm -64.61 -52.27 58.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.261 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' S' S ' 71' ' ' LYS . . . . . 0.519 ' HG3' HG12 ' S' ' 67' ' ' VAL . 0.2 OUTLIER -61.31 -36.72 80.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.569 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.67 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 73' ' ' LYS . . . . . 0.674 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.5 OUTLIER -89.77 -16.34 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.693 0.282 . . . . 0.0 111.108 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.22 -10.9 28.92 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.162 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' S' S ' 75' ' ' LEU . . . . . 0.642 ' HB3' HD12 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -83.23 -71.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.204 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' S' S ' 76' ' ' PHE . . . . . 0.82 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.733 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 67.7 mt -88.26 -31.51 18.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.56 -42.76 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -117.7 141.45 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.65 158.7 18.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -138.35 114.5 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -111.43 156.2 22.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -133.73 130.57 38.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.536 HG12 HG23 ' S' ' 43' ' ' THR . 0.9 OUTLIER -89.62 145.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.672 ' CD2' HG23 ' S' ' 33' ' ' VAL . 6.7 m-30 -96.22 143.97 27.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -45.75 114.81 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 113.166 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.4 pp -41.86 -36.34 1.03 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.931 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -56.33 -51.98 66.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.889 0.376 . . . . 0.0 110.548 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 1.1 m-20 -51.45 -44.56 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.189 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.761 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -84.2 -13.13 53.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.518 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.75 HD13 HD23 ' S' ' 75' ' ' LEU . 12.2 tp -104.68 34.54 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 96.77 49.22 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 136.4 10.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 58.1 Cg_exo -30.68 80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.471 2.781 . . . . 0.0 113.071 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.76 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.2 pp -77.79 158.11 78.49 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.777 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 60.2 Cg_endo -80.24 -159.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.129 2.553 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -93.92 -40.81 9.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.441 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.41 -27.69 5.92 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.322 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.847 HG22 ' CE2' ' S' ' 41' ' ' TYR . 1.2 t -79.56 108.98 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.907 -0.647 . . . . 0.0 109.483 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.596 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.4 m-20 -89.02 123.96 66.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.32 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.506 ' HA ' HD21 ' S' ' 38' ' ' LEU . 19.6 Cg_endo -58.58 -35.14 99.06 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.67 2.247 . . . . 0.0 113.511 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.76 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -77.18 -17.22 58.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.597 ' N ' HD22 ' S' ' 36' ' ' LEU . 0.5 OUTLIER -141.99 88.61 2.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 111.303 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.869 HD22 ' OH ' ' S' ' 41' ' ' TYR . 3.7 mt -87.82 -51.25 5.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.671 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.9 OUTLIER -45.31 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.416 HD12 ' C ' ' S' ' 40' ' ' ILE . 2.4 pp -75.17 -18.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.869 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -111.71 32.97 5.04 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.698 HD12 ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.06 122.42 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.924 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.536 HG23 HG12 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -65.93 156.1 34.5 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.119 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' S' ' 48' ' ' GLU . 6.0 p-10 -34.67 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.288 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -68.04 -55.32 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.459 ' OD2' HD11 ' S' ' 24' ' ' LEU . 47.8 t0 -66.45 -32.86 74.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.876 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.698 ' CG ' HD12 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -70.13 -41.82 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.625 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' S' ' 44' ' ' ASP . 10.1 mt-10 -79.69 -25.13 41.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -85.19 -36.45 21.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.458 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.654 ' CB ' HD11 ' S' ' 75' ' ' LEU . . . -100.38 -22.2 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' S' ' 75' ' ' LEU . 10.0 mt -130.99 -10.75 3.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 53.7 m-20 63.12 13.33 6.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.653 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -130.66 -172.13 2.73 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.615 HG22 ' HB2' ' S' ' 57' ' ' GLU . 8.9 t -133.57 156.93 46.94 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.972 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -51.73 -26.84 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.44 -9.38 50.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.879 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.615 ' HB2' HG22 ' S' ' 54' ' ' THR . 22.0 tp10 -95.53 -55.91 2.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.636 ' CE2' HD22 ' S' ' 51' ' ' LEU . 3.0 m-30 -63.29 -29.42 70.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.496 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.7 m-20 -52.37 -28.1 18.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.294 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.96 -34.6 7.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.623 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.613 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.3 OUTLIER -60.84 161.66 14.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.613 ' HD2' HD23 ' S' ' 61' ' ' LEU . 50.8 Cg_exo -51.48 166.74 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.264 1.976 . . . . 0.0 111.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.671 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.488 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.529 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.3 -45.37 9.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.42 -43.86 98.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 12.2 pt20 -60.88 -42.33 97.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.671 HG23 ' O ' ' S' ' 63' ' ' ALA . 40.3 t -66.27 -41.0 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.171 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.529 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.3 t30 -40.65 -42.49 1.73 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.545 ' HB3' HD23 ' S' ' 51' ' ' LEU . 2.1 mm? -73.02 -48.1 39.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.444 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.71 ' HG3' HD21 ' S' ' 51' ' ' LEU . 0.4 OUTLIER -48.56 -55.73 10.31 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 110.972 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -60.48 -29.9 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.89 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -25.23 20.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.84 3.12 34.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.731 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' S' ' 51' ' ' LEU . 21.6 mt -62.85 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.434 0.617 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.52 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -78.19 -31.45 49.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.63 94.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -92.49 158.69 15.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -90.28 122.02 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -139.67 130.06 25.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 129.7 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.37 150.12 35.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.2 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.774 HD13 ' HA ' ' S' ' 42' ' ' LEU . 1.0 OUTLIER -89.88 120.89 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.289 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.657 ' CD2' HG23 ' S' ' 33' ' ' VAL . 5.9 m-30 -89.5 142.21 29.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.407 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.2 Cg_endo -49.89 98.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.648 2.232 . . . . 0.0 112.744 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.658 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -35.99 -37.48 0.11 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.577 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.561 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -68.13 -50.73 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.214 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.525 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -56.13 -19.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.947 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.968 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -115.32 -23.59 8.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 31.4 tp -57.14 -19.84 22.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 165.87 40.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.826 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.79 155.89 35.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 119.745 -0.169 . . . . 0.0 110.846 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -34.15 67.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.397 2.731 . . . . 0.0 112.918 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.932 HD12 HG11 ' S' ' 33' ' ' VAL . 0.5 OUTLIER -68.12 158.12 85.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.8 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' S' ' 29' ' ' LEU . 29.3 Cg_endo -60.67 -164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.509 2.806 . . . . 0.0 112.846 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -104.4 -40.16 6.18 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.4 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.5 -27.83 6.17 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.932 HG11 HD12 ' S' ' 29' ' ' LEU . 0.9 OUTLIER -79.48 108.93 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.718 -0.741 . . . . 0.0 109.542 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.568 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.6 m-20 -88.87 125.65 61.94 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.568 ' HA ' HD21 ' S' ' 38' ' ' LEU . 18.2 Cg_endo -59.93 -32.34 95.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.44 2.093 . . . . 0.0 113.215 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.842 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -76.7 -20.16 56.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.195 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.842 ' HE2' HD21 ' S' ' 36' ' ' LEU . 0.6 OUTLIER -138.77 91.81 2.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.081 0.467 . . . . 0.0 110.55 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.691 HD12 ' C ' ' S' ' 75' ' ' LEU . 10.2 mt -87.7 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.108 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.686 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.6 OUTLIER -42.06 -26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.573 HD12 ' N ' ' S' ' 41' ' ' TYR . 2.2 pp -75.36 -31.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.968 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -91.25 21.62 4.3 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.68 129.19 34.42 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.911 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.658 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.1 t -72.22 -169.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.014 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 14.7 p-10 -66.23 -34.8 78.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.68 -52.91 54.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.522 ' OD2' HD11 ' S' ' 18' ' ' ILE . 19.9 t0 -66.13 -38.66 88.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.788 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -60.85 -42.94 98.8 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.346 178.224 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 1.4 mt-10 -59.43 -49.04 79.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.943 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -14.22 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 1.025 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.18 -46.99 5.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.85 ' HG ' HD12 ' S' ' 75' ' ' LEU . 6.1 mt -120.5 -2.02 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 0.8 OUTLIER 62.09 13.42 5.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.447 0.165 . . . . 0.0 111.385 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.527 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 3.0 tpp -123.67 -159.15 0.84 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.442 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.61 152.16 51.84 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.73 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 31.3 ttm180 -57.56 -25.58 60.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.21 -9.47 45.18 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.47 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.402 ' HG2' ' CD1' ' S' ' 61' ' ' LEU . 4.0 tt0 -93.05 -54.81 3.58 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.839 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.3 m-85 -61.86 -32.31 72.65 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.646 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.0 OUTLIER -54.36 -28.55 43.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.302 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.42 -30.55 8.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.604 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.9 163.46 9.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.841 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.547 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.04 165.75 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.466 2.11 . . . . 0.0 112.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.71 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.21 -26.39 22.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 111.266 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.11 -44.8 9.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -62.13 -43.44 98.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.514 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.97 -39.62 90.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.71 HG23 ' O ' ' S' ' 63' ' ' ALA . 46.5 t -69.31 -39.98 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.047 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.4 t30 -40.43 -43.03 1.72 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.433 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 1.5 mm? -76.36 -47.81 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.085 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.749 ' HG2' HD11 ' S' ' 51' ' ' LEU . 35.0 mttt -50.3 -53.92 25.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.175 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -67.82 -26.61 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.84 -25.48 32.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.43 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 73' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -89.96 -25.05 21.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.0 -11.09 29.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 1.025 HD11 ' HB1' ' S' ' 50' ' ' ALA . 16.1 mt -57.58 -83.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.121 0.46 . . . . 0.0 110.039 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' CD ' ' S' ' 70' ' ' LYS . 1.6 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.986 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 11' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' S' ' 11' ' ' LEU . 3.9 mm? -58.73 -26.87 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.72 81.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -108.93 130.71 55.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -117.32 138.38 51.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -95.84 163.17 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -127.92 140.86 51.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.4 127.02 16.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.714 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.3 mp -89.47 132.44 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.768 ' CD2' HG13 ' S' ' 33' ' ' VAL . 4.9 m-30 -92.44 139.42 23.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 10.0 Cg_endo -51.48 111.12 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.548 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.2 pp -42.8 -42.98 3.79 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.327 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.479 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -61.88 -56.88 14.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.203 0.525 . . . . 0.0 110.908 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.533 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.3 OUTLIER -48.5 -21.9 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.522 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.931 ' CB ' HD23 ' S' ' 29' ' ' LEU . 0.2 OUTLIER -115.07 -28.93 6.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.813 HD12 HD23 ' S' ' 75' ' ' LEU . 2.0 tp -62.66 -17.24 60.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.847 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 176.83 43.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.089 0.471 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.687 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.35 143.31 16.38 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.687 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.0 Cg_exo -48.88 82.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.16 1.907 . . . . 0.0 111.646 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 1.038 HD22 HG21 ' S' ' 33' ' ' VAL . 0.2 OUTLIER -80.11 157.95 72.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.998 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 41.2 Cg_endo -65.33 -162.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.734 2.289 . . . . 0.0 111.51 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.75 -18.56 16.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.497 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.34 -26.34 13.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.31 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 1.038 HG21 HD22 ' S' ' 29' ' ' LEU . 10.4 m -83.37 108.57 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.205 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.515 ' O ' HD23 ' S' ' 38' ' ' LEU . 71.8 m-20 -78.04 110.05 12.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.582 ' HA ' HD21 ' S' ' 38' ' ' LEU . 9.9 Cg_endo -51.92 -21.19 11.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.716 2.277 . . . . 0.0 113.723 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.634 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -95.15 1.49 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' S' ' 37' ' ' LYS . 12.7 ptpt -158.39 84.79 0.85 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.166 0.507 . . . . 0.0 110.175 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.705 HD13 ' OH ' ' S' ' 41' ' ' TYR . 5.3 mt -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.837 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.6 ' HA ' HD11 ' S' ' 42' ' ' LEU . 22.2 pt-20 -44.14 -24.07 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.87 -33.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.786 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -90.48 25.61 2.22 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.815 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.714 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -134.99 122.21 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.783 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.88 -174.03 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.636 178.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.442 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.9 p-10 -62.11 -39.99 94.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.424 0.452 . . . . 0.0 110.707 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.54 -54.8 30.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 12.2 t0 -62.82 -34.35 77.11 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.783 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -63.5 -48.02 79.32 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.575 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.67 -40.03 82.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.546 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -92.34 -10.94 36.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.763 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -99.78 -39.32 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.851 HD21 ' CD ' ' S' ' 70' ' ' LYS . 0.5 OUTLIER -136.95 4.3 2.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.18 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.83 13.33 4.36 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.432 -0.168 . . . . 0.0 111.24 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -128.29 -167.01 1.7 Allowed 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.521 ' CG2' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.3 170.91 14.76 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 23.4 ttt180 -69.47 -29.52 67.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -87.26 -9.67 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.868 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.647 ' CG ' HD12 ' S' ' 61' ' ' LEU . 1.3 tp10 -95.64 -59.89 1.77 Allowed 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.728 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -56.71 -33.26 66.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.541 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -47.67 -28.32 2.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.48 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.0 -30.17 5.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.647 HD12 ' CG ' ' S' ' 57' ' ' GLU . 2.9 mt -60.86 162.3 12.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.829 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.475 ' CD ' HD23 ' S' ' 61' ' ' LEU . 52.7 Cg_exo -52.58 143.78 44.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.379 2.052 . . . . 0.0 112.024 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.833 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -72.46 -17.22 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.703 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.4 -44.04 9.9 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -60.75 -42.82 98.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.833 HG23 ' O ' ' S' ' 63' ' ' ALA . 55.7 t -66.1 -39.69 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.549 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 53.5 t30 -42.18 -49.71 4.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.545 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.549 ' CB ' HD23 ' S' ' 51' ' ' LEU . 3.4 mm? -67.29 -38.18 84.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.068 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.851 ' CD ' HD21 ' S' ' 51' ' ' LEU . 0.2 OUTLIER -55.11 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -50.43 -28.58 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.02 55.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.46 -25.42 14.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 0.38 29.9 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.888 -0.673 . . . . 0.0 114.225 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.813 HD23 HD12 ' S' ' 25' ' ' LEU . 21.2 mt -65.45 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.881 0.841 . . . . 0.0 109.84 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.653 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.637 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.815 0.341 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt -105.06 -32.04 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.94 -47.5 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -68.98 151.7 46.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 14' ' ' LEU . . . . . 0.554 HD22 ' N ' ' S' ' 14' ' ' LEU . 3.0 mm? -78.12 143.0 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.56 140.61 49.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.47 107.93 19.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 43.2 m -147.27 144.63 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.704 HG23 ' HA ' ' S' ' 42' ' ' LEU . 2.2 mp -89.42 133.04 32.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.338 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.536 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 6.8 m-30 -90.81 142.01 27.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.34 110.85 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.616 2.211 . . . . 0.0 112.842 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.663 HD12 ' N ' ' S' ' 22' ' ' ALA . 2.5 pp -43.7 -38.93 3.37 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.663 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -59.32 -47.62 84.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.908 0.385 . . . . 0.0 111.021 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 9.5 m-20 -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.916 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.846 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -84.33 -19.5 33.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.795 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.859 HD13 HD23 ' S' ' 75' ' ' LEU . 23.3 tp -83.18 -9.72 59.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 173.25 37.72 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.599 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.48 147.81 22.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.278 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.526 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 77.5 Cg_exo -49.77 75.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.821 2.347 . . . . 0.0 112.053 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.764 HD12 HG11 ' S' ' 33' ' ' VAL . 1.0 OUTLIER -73.26 157.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.387 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 43.2 Cg_endo -66.28 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.946 2.431 . . . . 0.0 112.278 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.99 -11.75 18.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.872 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.74 -26.62 11.0 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.281 -1.437 . . . . 0.0 109.545 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.764 HG11 HD12 ' S' ' 29' ' ' LEU . 8.9 m -79.17 155.88 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 114.443 -0.878 . . . . 0.0 109.903 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.569 ' HB3' HD21 ' S' ' 36' ' ' LEU . 1.0 OUTLIER -125.17 102.83 30.37 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.688 ' HA ' HD21 ' S' ' 38' ' ' LEU . 1.0 OUTLIER -44.59 -42.01 14.38 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.903 2.402 . . . . 0.0 113.734 -178.451 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.668 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -65.41 -14.74 61.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.769 0.318 . . . . 0.0 111.396 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.617 ' HD3' HD23 ' S' ' 36' ' ' LEU . 10.1 pttt -160.48 96.07 1.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.72 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 6.5 mt -80.03 -53.14 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.632 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -37.12 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.432 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.516 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.5 pp -58.64 -27.15 33.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.846 ' HE1' HD13 ' S' ' 24' ' ' LEU . 28.9 p90 -106.77 33.28 4.01 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.704 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.4 OUTLIER -138.59 115.96 11.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.103 178.463 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.752 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 4.1 t -59.76 -170.18 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 1.5 p30 -64.05 -38.33 90.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.769 0.428 . . . . 0.0 110.746 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.8 -53.61 37.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 18.2 t0 -64.47 -30.56 71.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.752 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -68.67 -47.12 67.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.638 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.15 -45.43 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.136 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -17.15 38.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.913 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.15 -44.78 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.772 ' HG ' HD12 ' S' ' 75' ' ' LEU . 2.3 mt -123.03 -5.91 8.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' S' ' 47' ' ' PHE . 2.5 m-20 62.83 13.59 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.491 0.186 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.577 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -122.25 -162.67 1.01 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.514 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -133.43 159.21 41.03 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.656 0.265 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 27.5 ttm180 -63.45 -31.5 72.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 0.0 109.877 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.85 -8.59 54.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.628 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' S' ' 61' ' ' LEU . 3.1 tt0 -92.48 -58.57 2.32 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.737 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.4 m-30 -60.28 -33.32 72.17 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.425 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.0 OUTLIER -50.27 -24.99 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.345 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.23 -34.73 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.284 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.752 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.87 161.45 15.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.61 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.752 ' HD2' HD23 ' S' ' 61' ' ' LEU . 71.4 Cg_exo -49.48 158.18 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.447 2.098 . . . . 0.0 112.208 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.655 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.97 -17.62 30.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.641 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.17 -44.82 9.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -45.3 94.71 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.507 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 13.5 pt20 -60.79 -39.5 89.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' S' ' 76' ' ' PHE . 16.0 t -67.1 -40.99 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 55.1 t30 -43.97 -35.82 2.21 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.2 mm? -77.99 -48.73 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.817 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.728 ' HD3' HD11 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -53.09 -49.66 65.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.502 -179.417 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.46 -27.9 68.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.383 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.97 -30.57 44.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.317 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -94.51 -25.26 16.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.1 -7.45 29.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.766 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.913 HD11 ' HB1' ' S' ' 50' ' ' ALA . 58.0 mt -51.61 -85.53 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 117.626 0.713 . . . . 0.0 109.966 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.665 ' CE2' HG22 ' S' ' 67' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.783 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.7 ttm . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.874 0.369 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.85 -31.71 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.47 -30.36 67.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.233 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -97.73 116.55 30.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.13 124.52 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.1 114.32 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.118 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -113.96 122.68 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -124.67 141.27 52.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.009 0.433 . . . . 0.0 111.204 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.725 ' CG1' HG23 ' S' ' 43' ' ' THR . 28.7 mm -89.37 150.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.227 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.611 ' CD2' HG13 ' S' ' 33' ' ' VAL . 1.8 m-30 -89.73 130.28 43.62 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.478 ' O ' HD23 ' S' ' 24' ' ' LEU . 8.3 Cg_endo -51.21 105.81 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.776 2.317 . . . . 0.0 112.778 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.595 ' O ' HD23 ' S' ' 25' ' ' LEU . 0.8 OUTLIER -40.56 -37.35 0.7 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.091 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.75 95.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.774 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.554 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 5.3 m-20 -66.73 -34.97 79.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.872 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.924 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -89.1 -11.87 42.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.771 ' O ' HD12 ' S' ' 25' ' ' LEU . 2.5 pp -109.25 11.89 25.15 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 176.42 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.587 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.88 154.29 34.37 Favored Pre-proline 0 N--CA 1.463 0.187 0 O-C-N 121.89 -0.506 . . . . 0.0 111.429 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.454 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 10.2 Cg_endo -50.86 76.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.047 2.498 . . . . 0.0 111.809 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.899 ' CD1' HG21 ' S' ' 33' ' ' VAL . 1.5 pt? -74.62 151.48 87.11 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.014 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 36.8 Cg_endo -63.44 -161.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.068 2.512 . . . . 0.0 111.927 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.75 -17.05 15.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.485 ' HA3' ' CZ ' ' S' ' 19' ' ' TYR . . . -50.53 -27.26 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 119.45 -1.357 . . . . 0.0 109.871 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.917 HG12 ' CE1' ' S' ' 41' ' ' TYR . 16.7 m -81.18 126.17 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 114.611 -0.794 . . . . 0.0 110.215 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.558 ' O ' HD23 ' S' ' 38' ' ' LEU . 4.7 m-20 -95.3 103.76 13.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.542 ' HA ' HD21 ' S' ' 38' ' ' LEU . 6.2 Cg_exo -39.89 -44.17 3.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.052 2.502 . . . . 0.0 113.651 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.744 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -73.17 -20.98 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.082 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.792 ' HE3' HG21 ' S' ' 40' ' ' ILE . 1.7 ptmt -138.84 92.96 2.65 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.668 0.271 . . . . 0.0 110.771 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.782 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 7.8 mt -88.06 -50.33 6.47 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.632 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -49.73 -19.9 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.792 HG21 ' HE3' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -72.03 -32.84 45.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.924 ' CE1' HD13 ' S' ' 24' ' ' LEU . 31.6 p90 -100.59 33.88 2.6 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.782 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -137.99 123.56 19.7 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.08 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.725 HG23 ' CG1' ' S' ' 18' ' ' ILE . 8.1 p -67.1 -176.96 0.59 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.067 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 18.4 p-10 -60.98 -33.37 73.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.49 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.57 -51.26 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' S' ' 21' ' ' LEU . 6.0 t0 -66.1 -38.02 87.2 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.782 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -62.03 -44.61 96.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.344 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' S' ' 44' ' ' ASP . 2.4 mt-10 -58.18 -46.68 85.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.678 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -14.75 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.49 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -100.16 -43.88 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.843 HD21 ' HG3' ' S' ' 70' ' ' LYS . 5.1 mt -125.53 -5.33 7.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' S' ' 47' ' ' PHE . 27.6 m-20 64.87 13.29 8.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.293 -0.163 . . . . 0.0 111.314 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.651 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.56 -159.05 0.85 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.489 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -133.65 153.67 51.5 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.6 OUTLIER -61.93 -25.62 67.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -90.81 -9.37 46.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.267 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.617 ' HG3' HD12 ' S' ' 61' ' ' LEU . 7.4 tp10 -94.27 -54.37 3.58 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -62.14 -32.57 73.18 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.931 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.0 m-20 -51.52 -25.82 7.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.25 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.01 -32.46 6.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.588 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.617 HD12 ' HG3' ' S' ' 57' ' ' GLU . 0.8 OUTLIER -60.76 168.49 2.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.802 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.512 ' CD ' HD23 ' S' ' 61' ' ' LEU . 49.5 Cg_exo -54.44 160.68 6.55 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 112.063 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.816 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.17 -24.36 23.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.255 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -45.49 8.89 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.68 97.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.295 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.436 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.02 -40.52 98.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.816 HG23 ' O ' ' S' ' 63' ' ' ALA . 74.9 t -67.7 -39.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.539 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 54.9 t30 -41.92 -42.12 2.67 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 110.736 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.54 ' HB3' HD23 ' S' ' 51' ' ' LEU . 2.7 mm? -72.84 -47.88 42.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.843 ' HG3' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -49.54 -61.95 1.82 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -48.75 -40.75 29.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.41 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -90.19 -25.34 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 41.31 3.85 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.227 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 5.1 mt -108.4 -79.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.798 ' CD1' ' HD2' ' S' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 5.2 mmt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 mt -99.17 -30.98 11.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.04 90.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -92.52 123.31 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.85 158.58 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.97 152.53 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.54 124.62 51.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -153.11 143.65 22.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.659 HG23 ' HA ' ' S' ' 42' ' ' LEU . 4.2 mp -89.83 128.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.331 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.523 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.5 m-30 -99.5 156.97 34.8 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.505 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 5.7 Cg_endo -49.19 100.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.926 2.417 . . . . 0.0 112.87 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.592 ' HA ' HD11 ' S' ' 24' ' ' LEU . 2.3 pp -39.02 -33.93 0.14 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.47 73.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.559 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.3 OUTLIER -66.61 -28.87 68.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.999 ' HA ' HD23 ' S' ' 29' ' ' LEU . 0.1 OUTLIER -89.17 -19.96 24.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.679 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.92 HD12 ' CD2' ' S' ' 75' ' ' LEU . 1.6 tp -72.19 -22.17 61.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 163.38 48.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.722 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 154.25 34.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 110.966 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.485 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.1 Cg_endo -43.56 71.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.248 2.632 . . . . 0.0 112.158 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.999 HD23 ' HA ' ' S' ' 24' ' ' LEU . 0.4 OUTLIER -71.05 150.2 94.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.655 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 11.8 Cg_endo -54.97 -164.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.372 2.715 . . . . 0.0 113.208 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 31' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' S' ' 33' ' ' VAL . 4.4 tp10 -96.97 -39.61 9.28 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.85 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.467 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -45.69 -28.74 2.68 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.955 HG22 ' CE2' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -75.62 130.41 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 114.021 -1.09 . . . . 0.0 109.178 177.433 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 18.1 m-20 -97.39 139.43 21.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.379 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.73 -7.13 13.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.165 . . . . 0.0 113.963 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.586 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -115.02 10.67 16.29 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.753 -179.64 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.556 ' HG3' HG12 ' S' ' 40' ' ' ILE . 11.0 pttm -172.55 93.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.088 0.471 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.769 HD22 ' OH ' ' S' ' 41' ' ' TYR . 2.7 mt -87.45 -49.36 7.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.103 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.753 ' HA ' HD11 ' S' ' 42' ' ' LEU . 7.7 pt-20 -39.22 -27.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.757 HD12 ' N ' ' S' ' 41' ' ' TYR . 2.3 pp -73.9 -36.59 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.955 ' CE2' HG22 ' S' ' 33' ' ' VAL . 0.5 OUTLIER -89.87 27.82 1.48 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.753 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.51 119.1 13.93 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.203 178.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.745 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.1 t -60.04 -166.99 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.44 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 23.5 p-10 -66.15 -39.45 89.81 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.795 0.438 . . . . 0.0 110.417 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.21 -54.69 25.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.43 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 21.5 t0 -62.83 -30.09 71.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.745 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.27 -48.82 63.99 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.446 178.041 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -56.31 -51.94 66.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.581 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -15.15 60.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.786 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.32 -61.42 1.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.967 HD11 ' HD3' ' S' ' 70' ' ' LYS . 3.0 mt -108.36 -10.7 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.875 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' S' ' 47' ' ' PHE . 11.5 m-20 70.08 13.42 7.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.603 0.24 . . . . 0.0 110.956 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.619 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -120.65 -160.35 0.83 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.548 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -133.48 154.53 50.74 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.0 ttp85 -61.99 -29.8 70.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -89.39 -8.78 52.41 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.97 -58.29 2.38 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.613 ' HE2' HD22 ' S' ' 51' ' ' LEU . 1.6 m-30 -60.94 -32.16 71.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.412 177.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -48.92 -27.35 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.602 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.33 -32.3 7.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.756 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.94 160.2 22.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.782 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.756 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.2 Cg_exo -53.59 139.51 66.54 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.312 2.008 . . . . 0.0 111.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.829 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -63.82 -17.51 63.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.012 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.531 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.23 -41.54 11.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -41.97 98.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.79 -39.5 94.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.829 HG23 ' O ' ' S' ' 63' ' ' ALA . 78.6 t -66.82 -40.48 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.531 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.2 t30 -43.43 -52.65 5.9 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.415 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.463 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.4 mm? -67.3 -35.67 79.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.42 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.967 ' HD3' HD11 ' S' ' 51' ' ' LEU . 2.1 mmmm -53.54 -61.09 2.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.94 0.4 . . . . 0.0 110.672 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -64.97 -28.81 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.972 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.7 -34.61 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -25.34 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.674 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.82 5.47 41.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.173 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.92 ' CD2' HD12 ' S' ' 25' ' ' LEU . 2.0 mt -58.27 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.112 0.456 . . . . 0.0 110.307 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.637 ' CE2' HG13 ' S' ' 67' ' ' VAL . 1.4 m-85 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.209 -0.9 . . . . 0.0 112.244 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 1.6 ptp . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.726 0.298 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.49 -31.47 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.22 -42.31 13.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -125.39 152.62 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 118.4 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.016 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -133.09 130.45 39.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -77.83 147.43 35.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -124.61 116.26 22.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.726 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.4 mp -89.29 134.43 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.293 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -89.85 142.16 28.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.46 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 11.9 Cg_endo -53.47 107.24 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.651 2.234 . . . . 0.0 112.755 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.645 HD12 ' N ' ' S' ' 22' ' ' ALA . 1.1 pp -38.27 -45.66 1.0 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.403 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.645 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -57.97 -64.16 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.213 0.53 . . . . 0.0 111.034 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.497 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 0.6 OUTLIER -44.56 -20.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.86 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.796 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -115.16 -22.56 9.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 1.097 HD12 HD21 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -73.95 -8.02 54.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 172.01 40.76 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 111.211 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.658 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.62 140.37 13.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.447 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.658 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 90.9 Cg_exo -40.42 82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.554 2.17 . . . . 0.0 112.035 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.814 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.8 pp -78.14 159.07 76.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.245 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -90.45 -162.05 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.522 2.814 . . . . 0.0 112.892 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 31' ' ' GLU . . . . . 0.605 ' C ' ' H ' ' S' ' 33' ' ' VAL . 3.0 tt0 -82.31 -172.33 3.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.197 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.36 -1.58 1.45 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.814 ' CG1' HD22 ' S' ' 29' ' ' LEU . 0.9 OUTLIER -126.54 108.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.483 ' HB2' ' HG3' ' S' ' 37' ' ' LYS . 9.9 m-20 -109.72 121.57 41.75 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.637 ' HA ' HD21 ' S' ' 38' ' ' LEU . 13.2 Cg_endo -54.15 -20.6 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.876 2.384 . . . . 0.0 113.505 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' S' ' 35' ' ' PRO . 0.2 OUTLIER -99.8 22.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.483 ' HG3' ' HB2' ' S' ' 34' ' ' ASP . 17.0 ptpt -178.26 76.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.98 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 1.06 HD12 HD23 ' S' ' 75' ' ' LEU . 1.5 mt -87.5 -40.45 14.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.549 ' HA ' HD11 ' S' ' 42' ' ' LEU . 3.2 pt-20 -49.1 -22.21 0.89 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.39 -5.58 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.806 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -131.68 20.89 4.65 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.87 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -129.02 132.06 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.532 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 5.9 t -74.27 -174.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.407 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.5 p30 -61.26 -33.16 73.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.39 -54.03 16.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -63.41 -29.39 70.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.87 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -71.98 -48.51 44.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.487 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.738 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -62.41 -50.44 71.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.34 -45.46 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.822 HD11 ' HG2' ' S' ' 70' ' ' LYS . 5.8 mp -89.75 -17.95 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' S' ' 47' ' ' PHE . 23.4 m-20 60.67 18.11 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 0.0 111.447 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.503 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 4.0 tpp -130.75 -158.42 0.89 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.432 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.36 153.65 51.41 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.43 ' HD2' ' CE2' ' S' ' 47' ' ' PHE . 5.8 tpt180 -57.25 -26.35 60.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -9.32 46.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.536 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.05 -53.26 3.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.457 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -63.52 -30.78 71.85 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.84 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -52.65 -29.19 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.302 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.88 -32.85 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.601 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.629 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.96 158.93 30.57 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.629 ' HD2' HD23 ' S' ' 61' ' ' LEU . 50.3 Cg_exo -52.96 142.27 53.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.446 2.097 . . . . 0.0 111.96 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.849 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -64.26 -17.84 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.946 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -89.19 -42.12 11.84 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' S' ' 68' ' ' ASN . 0.1 OUTLIER -63.84 -38.06 89.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.478 ' CD ' ' HA ' ' S' ' 63' ' ' ALA . 3.0 pt20 -64.0 -40.84 97.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.972 HG13 ' HB3' ' S' ' 76' ' ' PHE . 44.5 t -70.24 -35.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.574 ' HB3' ' O ' ' S' ' 65' ' ' LYS . 61.0 t30 -42.86 -62.88 0.9 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.778 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.658 HD23 ' O ' ' S' ' 51' ' ' LEU . 1.2 tp -70.03 -31.4 69.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.822 ' HG2' HD11 ' S' ' 51' ' ' LEU . 2.4 mtmp? -66.67 -31.97 72.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.809 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.859 ' HG3' HG12 ' S' ' 67' ' ' VAL . 14.2 mttt -72.03 -33.93 68.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.351 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.55 -30.68 2.36 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.136 0.493 . . . . 0.0 110.291 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -110.84 -25.06 10.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.282 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.35 49.34 1.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.849 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 1.097 HD21 HD12 ' S' ' 25' ' ' LEU . 1.8 mt -103.9 -85.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.546 0.212 . . . . 0.0 111.409 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.972 ' HB3' HG13 ' S' ' 67' ' ' VAL . 50.9 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.679 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.832 0.349 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -30.67 70.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 13' ' ' LYS . . . . . 0.757 ' C ' HD22 ' S' ' 14' ' ' LEU . 40.8 mttt -91.01 152.5 20.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 14' ' ' LEU . . . . . 0.757 HD22 ' C ' ' S' ' 13' ' ' LYS . 3.4 mm? -130.76 122.9 28.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 27.5 t -147.09 144.89 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -75.42 160.95 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.754 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.7 t -110.67 110.7 21.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.173 0.511 . . . . 0.0 111.212 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.766 HD13 ' N ' ' S' ' 19' ' ' TYR . 0.0 OUTLIER -94.02 126.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.766 ' N ' HD13 ' S' ' 18' ' ' ILE . 3.8 m-30 -89.88 131.75 38.46 Favored Pre-proline 0 CA--C 1.531 0.23 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -37.86 110.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.359 2.706 . . . . 0.0 113.354 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.6 pp -42.67 -29.41 0.3 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.778 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.04 -46.26 82.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.051 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' S' ' 29' ' ' LEU . 1.1 m-20 -53.15 -41.24 64.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.006 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.813 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -87.6 -9.54 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.629 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.953 HD13 HD23 ' S' ' 75' ' ' LEU . 10.8 tp -111.77 38.07 2.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 97.27 47.02 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.635 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.91 136.4 10.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.68 178.451 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.635 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 57.2 Cg_exo -32.36 82.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 123.262 2.642 . . . . 0.0 113.2 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.808 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.5 pp -78.48 158.09 76.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.01 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 69.4 Cg_endo -78.29 -159.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.105 2.537 . . . . 0.0 112.141 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -94.58 -40.26 9.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.619 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.433 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.61 -25.03 6.22 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.511 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.808 ' CG1' HD22 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -84.59 112.54 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 114.93 -0.635 . . . . 0.0 110.054 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.44 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 1.3 m-20 -96.52 122.04 58.38 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.509 ' HA ' HD21 ' S' ' 38' ' ' LEU . 11.8 Cg_endo -55.49 -27.14 57.69 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.811 2.34 . . . . 0.0 113.485 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.813 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -80.92 -9.5 59.82 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.813 ' HE2' HD21 ' S' ' 36' ' ' LEU . 6.3 pttt -157.05 88.87 1.04 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.752 0.311 . . . . 0.0 111.557 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.862 HD22 ' OH ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.85 -38.85 15.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.712 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.825 ' OE2' HG23 ' S' ' 40' ' ' ILE . 3.0 pm0 -54.17 -20.06 6.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.825 HG23 ' OE2' ' S' ' 39' ' ' GLU . 2.0 pp -83.48 -25.45 7.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.862 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.4 OUTLIER -104.5 30.05 5.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -135.8 117.14 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.103 179.079 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.693 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.1 p -59.68 -177.95 0.06 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.7 p-10 -58.54 -35.48 72.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.933 0.493 . . . . 0.0 111.204 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.22 -54.56 23.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.536 ' OD2' HD11 ' S' ' 18' ' ' ILE . 9.3 t0 -63.87 -34.68 78.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -64.94 -47.2 78.51 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.569 178.468 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 2.3 mt-10 -59.1 -50.96 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -16.0 58.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.528 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -100.32 -61.57 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.777 ' HG ' HD13 ' S' ' 75' ' ' LEU . 3.7 mt -107.06 -2.95 20.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 7.9 m-20 64.21 13.47 7.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.317 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.655 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -123.18 -163.01 1.07 Allowed 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.38 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 30.2 p -133.61 158.24 43.7 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.079 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 11.3 ttt-85 -62.53 -29.61 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.11 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.07 -8.9 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.6 ' HG3' HD12 ' S' ' 61' ' ' LEU . 0.9 OUTLIER -95.07 -58.8 2.05 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.557 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.2 m-30 -59.12 -29.87 67.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.101 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -51.43 -26.9 8.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.212 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.63 -32.63 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.478 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.715 HD23 ' HD2' ' S' ' 62' ' ' PRO . 3.0 mt -60.77 149.55 79.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.715 ' HD2' HD23 ' S' ' 61' ' ' LEU . 2.9 Cg_endo -42.38 127.95 4.41 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 123.211 2.607 . . . . 0.0 112.171 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.743 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -63.87 -15.69 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.159 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.31 -43.09 10.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.35 -44.3 97.41 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.447 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.786 HG13 ' HE1' ' S' ' 76' ' ' PHE . 40.5 t -60.27 -42.91 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' S' ' 72' ' ' ALA . 50.0 t30 -46.03 -32.81 3.01 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.142 0.496 . . . . 0.0 110.441 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.551 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.5 mm? -84.79 -43.66 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.773 ' HG2' HD21 ' S' ' 51' ' ' LEU . 23.3 mttt -56.36 -51.77 67.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.669 0.271 . . . . 0.0 110.591 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -70.36 -30.54 67.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.768 0.318 . . . . 0.0 110.786 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 72' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' S' ' 68' ' ' ASN . . . -56.29 -31.43 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 73' ' ' LYS . . . . . 0.488 ' CE ' HD21 ' S' ' 25' ' ' LEU . 6.9 tttt -116.81 17.15 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.92 13.87 57.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.961 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.953 HD23 HD13 ' S' ' 25' ' ' LEU . 12.5 mt -53.91 -92.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.685 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.786 ' HE1' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.047 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.819 0.343 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.48 -40.1 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.58 -35.7 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.9 148.41 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -132.52 106.34 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.56 137.25 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -135.05 110.29 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -136.19 110.89 8.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.69 HG21 ' H ' ' S' ' 43' ' ' THR . 2.8 tp -115.18 164.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.302 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 7.2 m-30 -89.8 125.65 60.25 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.425 ' O ' ' CD2' ' S' ' 24' ' ' LEU . 1.9 Cg_endo -43.57 133.98 7.21 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.357 2.704 . . . . 0.0 113.622 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.2 pp -49.62 -41.98 43.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.116 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.82 -45.09 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.142 0.496 . . . . 0.0 109.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.685 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -46.44 -26.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.17 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -113.81 -28.66 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.516 -179.335 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.788 HD13 HD23 ' S' ' 75' ' ' LEU . 17.6 tp -72.7 47.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 94.85 46.8 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.167 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.693 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.84 138.68 12.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.229 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.0 Cg_exo -34.52 79.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.895 2.397 . . . . 0.0 112.678 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.672 HD13 ' H ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -75.59 158.16 83.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 71.6 Cg_endo -78.31 -158.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.268 2.645 . . . . 0.0 112.026 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.3 -42.08 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.779 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.442 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.06 -24.21 6.37 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.564 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.965 HG22 ' CD1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -87.15 107.97 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.087 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.527 ' CB ' HD21 ' S' ' 36' ' ' LEU . 13.9 m-20 -94.76 118.29 66.81 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.37 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.33 -21.61 61.51 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.581 2.187 . . . . 0.0 113.52 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.563 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.78 -11.4 60.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.603 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CE ' HD23 ' S' ' 36' ' ' LEU . 7.6 ptpt -174.25 113.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.823 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.4 mp -88.11 -40.19 13.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.655 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -41.83 -28.07 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.438 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.447 HG12 ' O ' ' S' ' 37' ' ' LYS . 50.4 pt -71.22 -33.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.965 ' CD1' HG22 ' S' ' 33' ' ' VAL . 6.0 p90 -105.52 43.04 1.16 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.695 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.64 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.442 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.69 ' H ' HG21 ' S' ' 18' ' ' ILE . 12.8 t -65.18 156.72 30.85 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' S' ' 48' ' ' GLU . 5.0 p-10 -33.29 -35.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.262 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.31 -51.65 42.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.537 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 58.5 t0 -68.71 -34.06 74.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.043 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.695 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -69.77 -39.8 76.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.033 179.198 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' S' ' 44' ' ' ASP . 1.6 mt-10 -79.66 -28.97 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.297 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -90.29 -31.47 16.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.464 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.13 -21.43 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.751 HD21 ' HA ' ' S' ' 70' ' ' LYS . 9.4 mt -135.47 -5.24 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 1.4 m-20 61.28 13.28 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.346 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.669 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 2.9 tpp -131.52 -166.26 1.69 Allowed 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -133.55 162.17 32.63 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 17.8 ttt180 -61.65 -25.94 67.69 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.03 -9.05 50.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.13 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.09 -56.2 2.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.617 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.7 m-30 -62.93 -29.84 71.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.203 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -51.49 -29.95 18.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.28 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.61 -34.07 7.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.638 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.741 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.78 160.36 20.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.741 ' HD2' HD23 ' S' ' 61' ' ' LEU . 2.3 Cg_endo -44.06 157.78 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.066 2.51 . . . . 0.0 112.14 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.831 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.06 -26.6 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.04 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.506 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.49 -45.95 8.63 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.86 -40.95 94.84 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.333 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.473 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.98 -44.02 97.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.831 HG23 ' O ' ' S' ' 63' ' ' ALA . 88.8 t -65.03 -40.22 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.505 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 61.1 t30 -41.84 -45.83 3.77 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -79.1 -30.2 43.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.751 ' HA ' HD21 ' S' ' 51' ' ' LEU . 59.0 mttt -56.53 -50.99 70.22 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.443 ' HG2' ' HB2' ' S' ' 76' ' ' PHE . 2.0 mttm -61.91 -42.71 99.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.99 -35.24 6.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.733 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -20.18 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.37 16.36 9.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.05 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.814 ' HB3' HD13 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -107.74 -69.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.224 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.73 ' O ' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.432 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.946 0.403 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.91 -31.54 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.59 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -109.59 160.47 16.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 14' ' ' LEU . . . . . 0.631 ' N ' HD12 ' S' ' 14' ' ' LEU . 1.6 mp -110.97 114.64 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.43 131.18 29.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.23 113.38 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.7 t -141.7 133.0 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.55 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -89.77 127.61 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.544 ' CD2' HG23 ' S' ' 33' ' ' VAL . 7.2 m-30 -89.91 136.77 28.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.91 109.34 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.883 2.389 . . . . 0.0 112.698 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.718 HD23 ' CG ' ' S' ' 46' ' ' ASP . 1.0 OUTLIER -45.46 -35.6 3.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.961 -179.794 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -51.18 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.644 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -55.13 -18.92 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.981 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -115.64 -25.58 7.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.854 -178.58 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.623 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 38.3 tp -53.95 -18.49 3.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.087 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 167.16 41.4 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.69 155.76 35.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 122.38 -0.2 . . . . 0.0 110.86 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -39.21 69.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.691 2.927 . . . . 0.0 112.986 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.825 HD22 HG11 ' S' ' 33' ' ' VAL . 2.4 pp -69.06 158.07 87.51 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.085 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 45.5 Cg_endo -65.59 -163.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.374 2.716 . . . . 0.0 113.089 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.98 -39.21 9.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.472 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.28 -27.02 7.2 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.076 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.825 HG11 HD22 ' S' ' 29' ' ' LEU . 1.2 t -79.14 110.3 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.436 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.467 ' O ' HD23 ' S' ' 38' ' ' LEU . 66.5 m-20 -94.72 134.36 25.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.705 ' HA ' HD21 ' S' ' 38' ' ' LEU . 40.3 Cg_endo -67.48 -40.9 9.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.512 2.141 . . . . 0.0 113.556 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.637 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -71.07 -9.47 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.704 0.288 . . . . 0.0 111.714 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.67 ' HB2' HD13 ' S' ' 40' ' ' ILE . 0.6 OUTLIER -145.43 87.94 1.83 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' S' ' 35' ' ' PRO . 2.5 mt -87.31 -56.86 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.739 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.631 ' HA ' HD11 ' S' ' 42' ' ' LEU . 7.2 pt-20 -50.18 -23.94 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 0.0 110.854 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.67 HD13 ' HB2' ' S' ' 37' ' ' LYS . 1.9 mp -62.29 -39.12 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.305 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.859 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -93.8 29.48 2.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.601 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -138.21 116.24 11.68 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.461 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.709 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.3 t -59.96 -166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -67.1 -39.18 86.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.684 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -63.69 -53.19 55.2 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.718 ' CG ' HD23 ' S' ' 21' ' ' LEU . 10.9 t0 -64.89 -34.42 78.36 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.709 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -63.49 -45.88 88.7 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.283 178.036 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.91 -44.78 82.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.752 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -13.79 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.02 -45.27 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.838 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.85 HD11 ' CG ' ' S' ' 70' ' ' LYS . 3.5 mt -127.85 -1.69 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' S' ' 47' ' ' PHE . 13.7 m-20 60.34 13.95 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.568 0.223 . . . . 0.0 111.205 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.603 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.68 -162.0 0.87 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.648 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.74 147.23 51.31 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.861 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -56.72 -29.26 62.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 0.0 110.019 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.02 -8.92 56.68 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.777 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 49.4 tt0 -94.22 -62.76 1.28 Allowed 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.655 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.1 m-30 -56.14 -30.59 62.37 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.051 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -50.57 -24.1 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.423 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.25 -33.43 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.687 0.28 . . . . 0.0 111.525 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.77 160.54 19.24 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.789 ' HD2' HD23 ' S' ' 61' ' ' LEU . 77.4 Cg_exo -49.2 159.55 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.381 2.054 . . . . 0.0 111.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.751 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.67 -18.41 29.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.13 -43.48 10.43 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.577 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -61.6 -43.81 98.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' S' ' 63' ' ' ALA . 3.9 pt20 -62.45 -37.83 87.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.751 HG23 ' O ' ' S' ' 63' ' ' ALA . 24.2 t -67.12 -40.92 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.535 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.4 t30 -47.2 -49.9 21.98 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.303 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' S' ' 69' ' ' LEU . 5.4 tp -70.98 -42.49 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.471 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.85 ' CG ' HD11 ' S' ' 51' ' ' LEU . 1.1 mtmp? -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' S' ' 67' ' ' VAL . 17.0 mtpt -65.36 -32.49 74.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.068 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.78 84.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -22.42 22.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.59 -10.25 28.14 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.568 -0.825 . . . . 0.0 114.108 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.696 ' C ' HD12 ' S' ' 38' ' ' LEU . 19.8 mt -56.11 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 118.007 0.904 . . . . 0.0 109.412 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.66 ' CD2' HG22 ' S' ' 67' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.368 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 8.5 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' S' S ' 11' ' ' LEU . . . . . 0.568 ' H ' HD12 ' S' ' 11' ' ' LEU . 5.0 mp -68.03 -42.53 80.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.07 80.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -77.11 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mp -123.61 158.94 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.51 129.17 52.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 132.88 36.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -107.54 139.41 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.793 HG23 ' HA ' ' S' ' 42' ' ' LEU . 2.9 mp -89.44 132.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.28 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.663 ' CD2' HG23 ' S' ' 33' ' ' VAL . 4.9 m-30 -90.63 139.63 26.45 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.7 Cg_endo -51.84 103.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.793 2.329 . . . . 0.0 112.779 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' S' ' 24' ' ' LEU . 1.0 OUTLIER -40.26 -38.67 0.82 Allowed 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.216 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.515 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -67.07 -46.36 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.04 0.448 . . . . 0.0 111.447 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.666 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -61.92 -17.51 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.829 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.872 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -114.4 -18.99 11.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.622 -178.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 33.7 tp -72.84 -9.79 59.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.04 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.42 36.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.696 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.82 154.59 34.89 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.232 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.492 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.0 Cg_endo -43.49 71.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.435 2.757 . . . . 0.0 112.525 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.747 HD22 HG11 ' S' ' 33' ' ' VAL . 3.0 pp -69.99 159.0 85.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.974 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 51.8 Cg_endo -65.84 -163.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.487 2.791 . . . . 0.0 113.124 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -100.37 -36.41 9.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.014 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.99 -26.96 6.28 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 119.618 -1.277 . . . . 0.0 109.98 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.792 HG22 ' CE2' ' S' ' 41' ' ' TYR . 1.2 t -79.09 110.38 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.376 -0.912 . . . . 0.0 109.376 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.465 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 53.8 m-20 -91.39 122.99 65.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.521 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.528 ' HA ' HD21 ' S' ' 38' ' ' LEU . 30.7 Cg_endo -63.47 -28.29 70.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.778 2.319 . . . . 0.0 113.463 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.613 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -85.33 5.16 31.82 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.47 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -167.35 90.73 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.174 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.699 HD13 ' OH ' ' S' ' 41' ' ' TYR . 2.0 mt -87.64 -59.37 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.65 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -41.07 -27.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.47 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -67.26 -32.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.872 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -96.19 28.85 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.793 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -138.13 121.96 17.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.505 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 7.6 t -63.52 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.986 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.546 ' CB ' HG22 ' S' ' 54' ' ' THR . 10.0 p-10 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.884 0.473 . . . . 0.0 110.357 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -64.55 -52.54 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.621 ' CG ' HD23 ' S' ' 21' ' ' LEU . 9.8 t0 -65.46 -33.15 75.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.681 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -65.65 -45.61 82.32 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.96 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.42 -48.8 71.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.69 -11.15 59.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.739 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.18 -61.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.781 0.324 . . . . 0.0 111.717 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.763 HD21 ' CA ' ' S' ' 70' ' ' LYS . 2.9 mt -117.08 2.01 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.35 14.04 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.468 0.175 . . . . 0.0 111.457 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.653 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -117.98 -160.52 0.79 Allowed 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.68 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.546 HG22 ' CB ' ' S' ' 44' ' ' ASP . 0.8 OUTLIER -133.82 153.7 51.54 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.69 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.079 0.466 . . . . 0.0 109.986 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.97 -9.09 54.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.742 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 4.8 tt0 -94.57 -59.73 1.87 Allowed 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.673 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.7 m-30 -58.91 -29.77 67.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.869 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -50.27 -29.89 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.543 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.62 -29.63 7.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.847 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.66 154.81 54.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.744 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.847 ' HD2' HD23 ' S' ' 61' ' ' LEU . 74.6 Cg_exo -47.26 147.87 5.31 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 111.815 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.713 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -74.35 -18.33 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.995 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.52 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.51 -46.2 8.47 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.47 -41.45 97.26 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 12.2 pt20 -63.19 -41.08 99.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.87 HG12 ' HE2' ' S' ' 71' ' ' LYS . 48.0 t -68.12 -39.21 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.181 177.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.518 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.7 t30 -41.68 -53.57 3.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.7 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' S' ' 69' ' ' LEU . 8.8 tp -78.54 -19.43 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.336 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.763 ' CA ' HD21 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -69.2 -49.23 58.43 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.139 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.87 ' HE2' HG12 ' S' ' 67' ' ' VAL . 31.6 mtmt -62.28 -45.5 92.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.768 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.08 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.678 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.92 -18.0 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.242 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.19 -8.83 29.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.975 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.69 ' HB3' HD12 ' S' ' 38' ' ' LEU . 0.7 OUTLIER -85.37 -69.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.635 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' S' S ' 11' ' ' LEU . . . . . 0.541 ' H ' HD12 ' S' ' 11' ' ' LEU . 4.5 mp -64.08 -20.56 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.65 -48.68 69.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -113.96 135.59 53.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 69.6 mt -109.79 160.04 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.83 143.09 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.098 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -134.32 149.4 50.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -134.97 110.57 9.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.217 0.532 . . . . 0.0 111.431 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.626 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -90.44 124.91 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.937 179.702 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.731 ' HD2' HG13 ' S' ' 33' ' ' VAL . 4.9 m-30 -89.7 130.02 44.63 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -38.75 112.75 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.249 2.633 . . . . 0.0 113.202 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -39.6 -34.35 0.23 Allowed 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.838 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -61.69 -47.72 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.002 0.429 . . . . 0.0 110.169 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' S' ' 29' ' ' LEU . 0.7 OUTLIER -51.78 -42.47 62.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.13 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.844 ' HA ' HD23 ' S' ' 29' ' ' LEU . 0.1 OUTLIER -86.78 -22.45 25.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.469 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 1.016 HD12 HD21 ' S' ' 75' ' ' LEU . 0.2 OUTLIER -98.5 43.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.347 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 93.05 50.57 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.588 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.99 132.94 8.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 178.089 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 48.8 Cg_exo -34.53 83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.141 2.561 . . . . 0.0 112.974 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.994 HD22 HG21 ' S' ' 33' ' ' VAL . 0.4 OUTLIER -90.77 157.65 43.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.373 -178.863 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.508 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 72.6 Cg_endo -72.97 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.907 2.404 . . . . 0.0 111.016 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.5 -16.51 17.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.653 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -53.36 -23.49 18.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.4 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.994 HG21 HD22 ' S' ' 29' ' ' LEU . 12.1 m -86.13 108.93 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 115.456 -0.372 . . . . 0.0 110.719 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.564 ' HB3' HD21 ' S' ' 36' ' ' LEU . 5.9 m-20 -81.54 107.52 8.33 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.733 ' HA ' HD21 ' S' ' 38' ' ' LEU . 10.0 Cg_endo -52.19 -26.97 28.21 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.606 2.204 . . . . 0.0 113.456 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.651 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.15 -12.39 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.63 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.56 ' HE3' HD23 ' S' ' 36' ' ' LEU . 4.3 ptpp? -171.99 104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 109.734 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' S' ' 75' ' ' LEU . 5.9 mt -88.06 -46.61 9.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.668 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -39.7 -27.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.471 HG23 ' OE1' ' S' ' 39' ' ' GLU . 45.5 pt -67.25 -29.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.819 ' OH ' HD22 ' S' ' 38' ' ' LEU . 2.6 p90 -103.85 30.65 4.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.702 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.27 115.55 14.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.739 178.397 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.8 p -60.52 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.314 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.479 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 4.6 p-10 -62.7 -32.9 74.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.3 -50.45 60.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 8.5 t0 -67.61 -34.03 76.18 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.702 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -66.63 -43.38 84.87 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.118 178.226 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.13 -39.58 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.921 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -22.15 18.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.12 -14.12 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.707 HD11 ' HG3' ' S' ' 70' ' ' LYS . 11.6 mt -149.76 -6.86 0.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.55 13.33 7.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.571 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 5.6 tpp -126.73 -159.17 0.91 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.563 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.1 p -133.57 156.7 47.35 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 4.8 ttm180 -60.93 -27.12 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.86 -9.24 54.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.461 ' HG3' HD12 ' S' ' 61' ' ' LEU . 0.9 OUTLIER -95.13 -57.02 2.54 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.68 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.58 -26.04 67.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.111 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.1 OUTLIER -53.85 -31.2 48.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.379 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.24 -26.84 7.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.753 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.58 156.1 45.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.658 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.753 ' HD2' HD23 ' S' ' 61' ' ' LEU . 3.6 Cg_exo -40.27 159.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.251 2.634 . . . . 0.0 112.203 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.78 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.22 -26.36 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.896 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.49 -45.32 9.03 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -41.36 97.27 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 9.7 pt20 -62.93 -41.47 99.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.78 HG23 ' O ' ' S' ' 63' ' ' ALA . 53.1 t -67.06 -41.03 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.153 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.541 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.2 t30 -41.34 -49.37 3.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.131 0.491 . . . . 0.0 111.227 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.513 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 4.6 mm? -72.3 -34.21 67.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.421 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.813 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.2 mtpt -63.22 -53.52 51.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.59 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 24.5 mttt -57.43 -34.76 69.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.269 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' S' S ' 73' ' ' LYS . . . . . 0.592 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.0 OUTLIER -107.22 -18.67 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.638 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 74' ' ' GLY . . . . . 0.41 ' O ' HD23 ' S' ' 75' ' ' LEU . . . 111.25 35.01 2.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.122 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 1.016 HD21 HD12 ' S' ' 25' ' ' LEU . 0.1 OUTLIER -139.22 -68.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 109.996 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.813 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.207 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.29 -31.35 15.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.33 69.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 13' ' ' LYS . . . . . 0.565 ' C ' HD12 ' S' ' 14' ' ' LEU . 9.7 mmtt -100.92 174.74 5.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 14' ' ' LEU . . . . . 0.565 HD12 ' C ' ' S' ' 13' ' ' LYS . 9.5 mp -130.24 105.27 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 92.9 m -137.75 123.62 20.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.9 114.89 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 89.4 m -106.72 149.27 27.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' S' ' 42' ' ' LEU . 30.3 mm -89.6 118.58 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.073 0.463 . . . . 0.0 111.766 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.641 ' CD2' HG23 ' S' ' 33' ' ' VAL . 2.6 m-30 -90.09 148.04 38.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.475 ' O ' HD23 ' S' ' 24' ' ' LEU . 10.2 Cg_endo -53.41 110.24 0.46 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.26 -178.322 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' S' ' 46' ' ' ASP . 0.2 OUTLIER -41.21 -41.64 1.89 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.14 85.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 110.271 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.808 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 10.1 m-20 -60.25 -43.05 96.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.084 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.91 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -83.73 -16.1 46.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.551 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 1.079 HD13 HD23 ' S' ' 75' ' ' LEU . 17.5 tp -85.21 -9.29 57.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 161.58 43.21 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.808 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.9 143.89 16.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.697 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.702 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.6 Cg_exo -41.22 79.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.473 2.115 . . . . 0.0 112.047 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -75.94 159.15 81.44 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.9 -179.181 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.1 -153.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.239 2.626 . . . . 0.0 112.805 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -44.92 5.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.093 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.426 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -47.68 -28.15 5.01 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.841 -1.171 . . . . 0.0 110.222 178.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.97 HG22 ' CE1' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -79.14 108.8 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 114.594 -0.803 . . . . 0.0 109.428 178.137 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.438 ' CB ' ' HG2' ' S' ' 37' ' ' LYS . 3.1 m-20 -76.95 133.38 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -74.94 -0.32 9.8 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.517 2.144 . . . . 0.0 113.494 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.744 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -130.31 13.9 5.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.441 ' HD3' HD21 ' S' ' 36' ' ' LEU . 22.1 pttt -167.96 86.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.052 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.98 HD22 ' OH ' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -87.52 -39.84 14.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.622 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.732 ' HA ' HD11 ' S' ' 42' ' ' LEU . 2.1 pt-20 -45.14 -25.71 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.612 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -79.61 -21.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.98 ' OH ' HD22 ' S' ' 38' ' ' LEU . 7.7 p90 -115.86 33.47 5.48 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.0 115.86 11.52 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.774 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.642 HG23 HG13 ' S' ' 18' ' ' ILE . 0.7 OUTLIER -60.04 157.95 11.95 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.67 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -37.59 -32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.47 0.708 . . . . 0.0 112.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.64 -52.91 18.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.479 ' HA ' HD22 ' S' ' 21' ' ' LEU . 15.1 t0 -68.01 -27.03 66.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.793 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.721 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -75.22 -43.62 50.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.205 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.4 mt-10 -69.92 -45.69 66.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.712 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -20.33 57.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.35 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.814 HD21 ' CG ' ' S' ' 70' ' ' LYS . 4.9 mt -101.11 -6.83 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 18.5 m-20 65.95 13.34 9.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.602 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -133.02 -177.89 4.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.04 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.51 HG22 ' HB2' ' S' ' 57' ' ' GLU . 2.7 t -132.64 162.38 31.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.492 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.1 OUTLIER -55.49 -24.2 30.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.12 -9.19 43.44 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.736 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' S' ' 54' ' ' THR . 0.0 OUTLIER -95.54 -54.33 3.41 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.688 0.756 . . . . 0.0 109.108 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.6 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.2 m-30 -66.82 -34.35 77.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.022 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -41.02 -32.21 0.23 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.92 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.68 -33.9 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.864 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.78 140.14 93.26 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.84 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.864 ' HD2' HD23 ' S' ' 61' ' ' LEU . 13.0 Cg_exo -37.21 136.95 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.128 2.552 . . . . 0.0 112.537 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.403 ' HA ' ' CD ' ' S' ' 66' ' ' GLN . . . -62.03 -17.48 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.097 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.09 -40.54 12.21 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.591 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -44.61 96.34 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.523 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.459 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.4 pt20 -60.48 -42.16 95.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.843 HG22 ' CZ ' ' S' ' 76' ' ' PHE . 2.6 t -64.13 -41.09 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.68 ' O ' ' HB2' ' S' ' 72' ' ' ALA . 58.8 t30 -42.92 -40.65 3.04 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.6 mm? -80.57 -50.2 10.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.787 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.814 ' CG ' HD21 ' S' ' 51' ' ' LEU . 11.4 mttt -50.28 -59.85 3.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.429 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -68.21 -30.71 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -179.454 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' S' S ' 72' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' S' ' 68' ' ' ASN . . . -59.26 -32.88 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.967 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.95 5.0 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.265 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.15 66.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.336 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 1.079 HD23 HD13 ' S' ' 25' ' ' LEU . 12.4 mt -78.35 -87.44 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.843 ' CZ ' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.257 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.817 0.341 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.54 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.59 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.243 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.92 160.1 28.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.54 150.92 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -138.83 122.8 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.23 146.88 38.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 17' ' ' THR . . . . . 0.475 HG23 ' O ' ' S' ' 17' ' ' THR . 10.4 t -130.15 115.33 16.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.715 HD13 ' OG1' ' S' ' 43' ' ' THR . 0.5 OUTLIER -89.82 158.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 3.0 m-30 -89.44 138.23 28.59 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.415 ' O ' HD23 ' S' ' 24' ' ' LEU . 10.6 Cg_endo -54.18 112.94 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.957 2.438 . . . . 0.0 113.145 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.518 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -42.28 -41.96 2.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.363 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.45 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.893 0.378 . . . . 0.0 111.399 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.551 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -61.75 -36.02 79.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.163 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.871 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -88.2 -19.5 26.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.11 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.789 HD13 ' CD2' ' S' ' 75' ' ' LEU . 17.3 tp -84.0 -6.16 59.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 174.22 33.7 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.551 ' HG2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.64 150.66 28.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.398 179.116 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.483 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 9.4 Cg_endo -51.77 78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.872 2.381 . . . . 0.0 111.831 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 1.07 HD22 HG21 ' S' ' 33' ' ' VAL . 0.2 OUTLIER -75.58 158.95 82.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.197 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.7 Cg_endo -60.4 -161.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.873 2.382 . . . . 0.0 111.47 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -101.22 -14.36 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.42 -23.17 12.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.105 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 1.07 HG21 HD22 ' S' ' 29' ' ' LEU . 31.0 m -89.32 127.94 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.927 -0.636 . . . . 0.0 110.779 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -99.54 108.37 50.35 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.647 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 1.3 Cg_endo -43.89 -36.17 7.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.714 2.276 . . . . 0.0 113.36 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.768 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -73.05 -8.82 57.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.768 ' HE2' HD21 ' S' ' 36' ' ' LEU . 0.4 OUTLIER -157.53 101.54 1.85 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.993 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.894 HD22 ' OH ' ' S' ' 41' ' ' TYR . 10.2 mt -87.84 -55.4 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.885 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.749 ' H ' ' HE3' ' S' ' 70' ' ' LYS . 18.4 pt-20 -38.95 -28.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.665 HG21 ' HD3' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -64.06 -33.11 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.894 ' OH ' HD22 ' S' ' 38' ' ' LEU . 34.6 p90 -103.61 36.44 2.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.718 HD21 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.6 126.32 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.715 178.239 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.715 ' OG1' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -61.04 -172.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.076 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.472 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.6 p30 -64.58 -36.82 85.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.58 -52.87 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.473 ' HA ' HD22 ' S' ' 21' ' ' LEU . 21.0 t0 -63.73 -28.92 70.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.705 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -69.49 -49.91 50.3 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.202 178.004 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 9.9 mt-10 -58.72 -41.3 86.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.873 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -82.88 -11.13 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.402 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' S' ' 46' ' ' ASP . . . -93.68 -61.17 1.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.819 0.342 . . . . 0.0 111.448 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.827 HD22 ' CE2' ' S' ' 58' ' ' TYR . 4.7 mp -124.05 0.09 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 13.0 m-20 69.12 13.23 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.736 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.524 ' HG2' ' CD1' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -115.02 -159.81 0.72 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.608 179.346 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 6.6 p -133.07 173.7 11.14 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.975 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.2 ttt180 -76.75 -32.94 58.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.036 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -89.05 -8.55 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.818 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.448 ' CG ' HD12 ' S' ' 61' ' ' LEU . 0.6 OUTLIER -93.88 -55.8 3.1 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.77 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.827 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.3 m-30 -63.4 -30.29 71.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.301 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.0 OUTLIER -53.87 -26.68 25.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.263 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.73 -32.57 5.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 111.355 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.448 HD12 ' CG ' ' S' ' 57' ' ' GLU . 19.0 mt -60.75 161.72 14.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 1.1 Cg_endo -45.99 151.49 1.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.02 2.48 . . . . 0.0 112.269 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.756 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -85.59 -18.15 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.89 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.506 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.25 -42.24 11.11 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -44.94 96.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.467 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.14 -35.69 81.12 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.946 HG22 ' CE1' ' S' ' 76' ' ' PHE . 6.2 t -66.35 -42.12 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.498 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 39.2 t30 -46.43 -32.52 3.32 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.441 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.569 ' CB ' HD23 ' S' ' 51' ' ' LEU . 2.8 mm? -83.71 -46.82 11.85 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.798 ' CD ' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -58.65 -53.57 56.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -60.39 -40.14 89.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.29 81.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -89.8 -25.21 21.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.685 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.87 1.32 30.36 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.385 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' S' ' 25' ' ' LEU . 20.3 mt -60.62 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 117.308 0.554 . . . . 0.0 109.904 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.946 ' CE1' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.375 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.881 0.372 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' S' S ' 11' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' S' ' 11' ' ' LEU . 4.0 mm? -93.0 -44.32 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -99.56 164.84 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -105.79 132.65 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 p -103.34 125.23 49.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -84.15 133.07 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -99.92 110.91 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.814 ' HB ' HG23 ' S' ' 43' ' ' THR . 0.3 OUTLIER -96.85 167.65 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.59 ' HD2' HG23 ' S' ' 33' ' ' VAL . 7.7 m-30 -89.71 124.93 62.73 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -45.06 137.94 9.44 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.266 2.644 . . . . 0.0 113.614 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -48.78 -47.03 42.3 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.749 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.66 73.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.043 0.449 . . . . 0.0 110.864 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.824 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -47.58 -23.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.331 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.678 ' HB2' HD23 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -115.36 -28.95 6.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.011 0.434 . . . . 0.0 111.512 -179.331 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.672 HD13 HD23 ' S' ' 75' ' ' LEU . 18.8 tp -70.42 -26.29 63.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 167.02 45.8 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.824 ' HD2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 140.16 13.68 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 119.605 -0.236 . . . . 0.0 110.408 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.617 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 88.5 Cg_exo -19.53 78.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.887 3.058 . . . . 0.0 113.272 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.686 HD12 ' O ' ' S' ' 30' ' ' PRO . 2.1 pp -73.19 148.75 88.97 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.694 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.686 ' O ' HD12 ' S' ' 29' ' ' LEU . 39.0 Cg_endo -85.52 -158.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.627 2.885 . . . . 0.0 112.261 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.36 -37.02 10.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.64 -22.93 12.54 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 119.526 -1.321 . . . . 0.0 110.19 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.765 HG22 ' CD1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -86.97 108.3 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.292 178.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.56 ' HB2' HD21 ' S' ' 36' ' ' LEU . 16.1 m-20 -92.53 121.26 66.61 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.334 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.423 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 28.6 Cg_endo -62.87 -20.91 72.55 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.641 2.227 . . . . 0.0 114.319 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.597 HD22 ' N ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -63.17 -15.68 57.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.534 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.528 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -176.85 121.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.518 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.799 HD13 ' CA ' ' S' ' 75' ' ' LEU . 1.8 mp -87.71 -41.22 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.678 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.9 OUTLIER -39.91 -27.95 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.528 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.6 pt -67.54 -30.8 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.797 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 3.9 p90 -111.45 41.13 1.94 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -138.85 115.85 10.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.294 177.62 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.814 HG23 ' HB ' ' S' ' 18' ' ' ILE . 13.3 p -60.25 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.181 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.429 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.3 p-10 -64.25 -36.56 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.42 -47.88 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 21.5 t0 -66.49 -31.88 72.88 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.66 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -69.24 -46.43 67.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.746 177.869 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.4 -37.39 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.02 -25.68 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -51.55 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.817 HD21 ' HG3' ' S' ' 70' ' ' LYS . 1.4 mp -141.51 8.99 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 64.59 14.8 9.25 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.586 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -113.45 -161.35 0.76 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.94 152.22 51.77 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.512 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 6.9 tpt180 -58.63 -24.41 61.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.704 -0.398 . . . . 0.0 109.984 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.31 -9.49 50.31 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.352 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.664 ' HG3' HD12 ' S' ' 61' ' ' LEU . 3.9 tp10 -95.18 -55.82 2.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.784 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.27 -29.16 69.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.005 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.9 m-20 -55.23 -24.0 25.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.163 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.78 -31.34 6.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.617 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.664 HD12 ' HG3' ' S' ' 57' ' ' GLU . 0.5 OUTLIER -60.76 167.01 3.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.508 ' CD ' HD23 ' S' ' 61' ' ' LEU . 50.9 Cg_exo -52.69 162.6 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.394 2.063 . . . . 0.0 111.924 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.846 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.56 -24.42 24.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.517 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -43.51 10.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.441 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -60.75 -40.77 93.68 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.543 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.81 -44.87 95.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.908 HG13 ' OXT' ' S' ' 76' ' ' PHE . 74.6 t -63.73 -38.33 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.54 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -41.79 -56.84 2.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.879 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' S' ' 51' ' ' LEU . 3.5 tp -72.42 -21.11 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.389 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.874 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -66.96 -54.74 18.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 110.204 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.431 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 6.4 mttt -59.28 -33.22 70.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.268 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.91 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.514 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -14.47 34.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.43 -10.99 28.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.625 -0.797 . . . . 0.0 113.586 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.799 ' CA ' HD13 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -81.26 -71.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.908 ' OXT' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.213 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.89 -45.99 39.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.0 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -75.27 124.25 26.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 mt -116.37 126.8 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -135.73 125.62 25.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.94 115.75 13.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -126.89 158.18 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.5 mp -89.44 133.53 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.312 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.627 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 10.3 m-85 -97.58 136.64 21.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.865 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.4 Cg_endo -48.1 119.26 3.78 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.845 2.364 . . . . 0.0 112.549 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.662 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -46.83 -41.01 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.113 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.23 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.303 0.573 . . . . 0.0 110.813 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.4 OUTLIER -49.2 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.38 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.859 HD13 ' OH ' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -115.09 -25.12 8.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.861 0.363 . . . . 0.0 111.729 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 18.5 tp -68.34 -9.5 48.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.12 42.2 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.881 0.372 . . . . 0.0 111.269 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.72 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.7 tmt_? -150.63 143.45 16.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.72 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 91.7 Cg_exo -42.13 83.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.425 2.083 . . . . 0.0 112.04 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.861 HD13 ' CG1' ' S' ' 33' ' ' VAL . 3.1 pp -79.43 155.76 76.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.589 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.627 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 65.8 Cg_endo -69.23 -162.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.773 2.982 . . . . 0.0 113.262 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -97.36 -37.79 9.89 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.456 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.76 -28.08 5.09 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.861 ' CG1' HD13 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -75.48 109.11 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.094 177.504 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' S' ' 37' ' ' LYS . 15.0 m-20 -86.76 141.99 34.17 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.809 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.78 -43.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.73 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.608 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.3 OUTLIER -78.63 -2.75 40.56 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.82 0.343 . . . . 0.0 111.607 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.608 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -158.47 87.86 0.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.363 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.712 HD13 ' CB ' ' S' ' 75' ' ' LEU . 1.9 mp -87.3 -53.05 5.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.825 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' S' ' 51' ' ' LEU . 0.5 OUTLIER -41.12 -29.65 0.13 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.187 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.558 ' C ' HD13 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -67.77 -29.66 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.859 ' OH ' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -86.17 9.75 16.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.822 HD23 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -127.37 127.62 44.51 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.247 -179.167 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.702 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -64.09 -170.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 178.551 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.518 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 32.0 p-10 -67.43 -36.18 80.72 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.877 0.471 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.92 -53.42 46.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 7.3 t0 -64.86 -35.07 79.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.702 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.26 -46.07 90.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.269 177.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.7 mt-10 -56.74 -51.67 67.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.729 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -79.83 -12.41 59.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 -60.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.813 HD11 ' HG3' ' S' ' 70' ' ' LYS . 5.6 mt -110.9 -6.68 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 14.8 m-20 67.94 13.45 9.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.58 0.229 . . . . 0.0 111.076 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.662 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.26 -160.14 0.91 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.48 155.11 50.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.586 HH22 HD11 ' S' ' 18' ' ' ILE . 28.5 ttm180 -59.39 -26.64 65.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.06 -9.08 44.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.242 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.7 ' OE2' HD11 ' S' ' 61' ' ' LEU . 0.0 OUTLIER -92.0 -52.66 4.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.73 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -67.44 -30.48 70.23 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.129 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -50.92 -31.81 18.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.457 179.793 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.83 -32.05 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.595 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.7 HD11 ' OE2' ' S' ' 57' ' ' GLU . 18.6 mt -60.78 162.13 13.02 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.433 ' HG2' ' CB ' ' S' ' 65' ' ' LYS . 3.7 Cg_endo -48.27 159.22 0.77 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.943 2.428 . . . . 0.0 111.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.684 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.92 -22.46 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.515 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.21 -46.15 8.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -62.01 -42.21 98.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.524 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 12.1 pt20 -62.68 -39.14 93.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.684 HG23 ' O ' ' S' ' 63' ' ' ALA . 28.3 t -69.63 -39.94 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.511 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 59.0 t30 -41.13 -52.98 3.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.731 HD23 ' O ' ' S' ' 51' ' ' LEU . 7.6 tp -75.55 -26.1 57.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.266 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.813 ' HG3' HD11 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.782 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 83.5 mttt -55.72 -48.19 75.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.605 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.84 -25.99 8.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.406 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 73' ' ' LYS . . . . . 0.538 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.0 OUTLIER -89.79 -19.62 24.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -6.81 28.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.712 ' CB ' HD13 ' S' ' 38' ' ' LEU . 0.7 OUTLIER -90.81 -68.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.723 0.297 . . . . 0.0 110.277 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.692 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.493 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 27.7 mtm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.96 -30.12 64.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.78 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 13' ' ' LYS . . . . . 0.64 ' O ' HD13 ' S' ' 14' ' ' LEU . 32.6 mtmt -110.81 132.54 54.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 14' ' ' LEU . . . . . 0.661 HD22 ' N ' ' S' ' 14' ' ' LEU . 0.3 OUTLIER -124.43 121.32 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 m -119.95 139.59 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.45 157.45 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 9.1 t -132.37 131.8 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.644 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.1 mp -89.35 142.06 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.603 ' CD2' HG23 ' S' ' 33' ' ' VAL . 4.6 m-30 -89.94 141.62 28.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.38 108.03 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.148 2.565 . . . . 0.0 113.049 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.1 pp -38.31 -35.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 22' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -58.87 -47.22 85.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.61 ' O ' HD12 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -53.98 -44.39 70.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.09 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.655 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -84.48 -15.1 47.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.334 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.889 HD13 HD23 ' S' ' 75' ' ' LEU . 11.4 tp -105.33 38.83 1.86 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 96.46 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.568 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.87 134.5 9.08 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 178.192 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.568 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.5 Cg_exo -30.77 85.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.237 2.625 . . . . 0.0 112.925 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.61 HD12 ' O ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -81.44 159.13 67.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.116 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 62.9 Cg_endo -80.03 -159.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.053 2.502 . . . . 0.0 111.839 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -92.86 -40.98 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.698 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.481 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.18 -26.68 6.6 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.44 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.857 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -80.65 108.79 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 114.893 -0.654 . . . . 0.0 109.462 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.2 m-20 -84.92 135.48 39.82 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -75.23 -1.28 11.07 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.524 2.149 . . . . 0.0 113.642 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.678 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -121.11 16.13 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.644 ' HB2' HD12 ' S' ' 40' ' ' ILE . 19.5 pttt -172.02 82.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.133 0.492 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 1.017 HD22 ' OH ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.04 -49.29 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.535 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.753 ' HA ' HD11 ' S' ' 42' ' ' LEU . 2.9 pt-20 -45.01 -28.23 0.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.3 0.572 . . . . 0.0 110.188 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -63.57 -43.91 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.231 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 1.017 ' OH ' HD22 ' S' ' 38' ' ' LEU . 3.9 p90 -100.33 36.48 1.87 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.753 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.4 OUTLIER -138.26 129.18 26.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.605 178.41 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.712 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -65.62 -174.08 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.847 178.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.494 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.1 p-10 -63.89 -34.95 79.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.97 -53.97 26.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.44 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 51.1 t0 -64.07 -32.65 74.29 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.751 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -65.53 -48.24 73.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.302 178.075 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.52 -36.98 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -16.12 36.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.661 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -83.52 -61.22 1.89 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.711 0.291 . . . . 0.0 111.338 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.926 HD21 ' CD ' ' S' ' 70' ' ' LYS . 1.6 mp -132.49 14.69 4.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.388 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.41 13.91 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.473 0.178 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.625 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -114.9 -167.18 1.19 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -133.47 160.97 35.83 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.446 ' CA ' ' CE2' ' S' ' 47' ' ' PHE . 9.1 ttt180 -60.8 -26.62 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.25 -9.03 43.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.44 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -48.87 6.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.75 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.4 m-30 -72.68 -29.67 63.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.736 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -48.8 -22.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.651 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.74 -37.08 5.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 111.252 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.577 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.97 162.17 13.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.577 ' HD2' HD23 ' S' ' 61' ' ' LEU . 49.0 Cg_exo -54.3 164.15 3.01 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.191 1.927 . . . . 0.0 111.697 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.934 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -84.28 -24.14 30.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.865 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.44 -41.04 11.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.511 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.509 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -58.79 -40.32 83.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.465 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.1 pt20 -64.79 -42.34 95.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 1.009 HG22 ' CE2' ' S' ' 76' ' ' PHE . 62.5 t -62.46 -40.23 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' S' ' 64' ' ' TRP . 51.1 t30 -40.85 -55.04 2.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.106 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.789 HD23 ' O ' ' S' ' 51' ' ' LEU . 6.4 tp -69.46 -25.62 64.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.926 ' CD ' HD21 ' S' ' 51' ' ' LEU . 2.3 tptm -61.06 -68.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.709 ' HE3' HG12 ' S' ' 67' ' ' VAL . 28.1 mttt -47.24 -34.22 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.525 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.41 65.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -99.22 -25.56 14.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.686 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.35 16.89 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.614 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.889 HD23 HD13 ' S' ' 25' ' ' LEU . 1.0 OUTLIER -79.42 -81.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.288 0.544 . . . . 0.0 110.506 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 1.009 ' CE2' HG22 ' S' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.265 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.8 mtm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.88 0.372 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' S' S ' 11' ' ' LEU . . . . . 0.5 HD22 ' N ' ' S' ' 11' ' ' LEU . 3.4 mm? -71.59 -42.46 67.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.17 -48.98 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.23 157.86 32.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.59 126.53 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 m -99.74 157.62 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.15 133.6 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -100.96 122.37 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.529 HG12 ' HB ' ' S' ' 43' ' ' THR . 1.5 mp -89.57 147.3 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.238 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.612 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 2.9 m-85 -97.82 138.56 21.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.013 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.449 ' O ' HD23 ' S' ' 24' ' ' LEU . 9.7 Cg_endo -51.94 115.06 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.058 2.505 . . . . 0.0 113.268 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.559 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.3 OUTLIER -42.29 -41.06 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.417 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -52.35 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 0.0 111.511 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.655 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -61.32 -31.34 71.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.918 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -90.93 -22.89 20.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.842 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.613 HD11 ' O ' ' S' ' 73' ' ' LYS . 22.3 tp -69.35 -18.08 63.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 45.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.732 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.87 154.23 34.32 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.961 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.517 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.3 Cg_endo -43.67 71.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.225 2.617 . . . . 0.0 111.882 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.881 HD13 ' CG1' ' S' ' 33' ' ' VAL . 2.2 pp -71.56 153.79 93.48 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.303 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.612 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.5 Cg_endo -59.92 -163.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.96 3.107 . . . . 0.0 113.267 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 31' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' S' ' 33' ' ' VAL . 3.5 tt0 -101.08 -37.81 8.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.64 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.41 -27.41 4.1 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.892 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -74.95 117.55 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.146 -1.027 . . . . 0.0 109.139 177.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.451 ' HB3' HD21 ' S' ' 36' ' ' LEU . 0.6 OUTLIER -95.07 128.57 38.45 Favored Pre-proline 0 C--N 1.324 -0.517 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.853 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 61.1 Cg_endo -73.0 -21.53 20.63 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.507 2.138 . . . . 0.0 113.287 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.641 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -75.37 -14.41 60.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 111.659 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.513 ' CD ' HD23 ' S' ' 36' ' ' LEU . 0.3 OUTLIER -173.75 114.41 0.21 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' S' ' 41' ' ' TYR . 3.2 mt -87.42 -38.22 16.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.729 ' HA ' HD21 ' S' ' 42' ' ' LEU . 2.5 pt-20 -43.49 -25.02 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.437 ' CG2' ' HG3' ' S' ' 37' ' ' LYS . 2.0 pp -69.92 -27.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.918 ' HE1' HD13 ' S' ' 24' ' ' LEU . 22.8 p90 -109.24 39.71 2.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.742 HD13 ' HA ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.61 115.52 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.529 ' HB ' HG12 ' S' ' 18' ' ' ILE . 1.8 t -60.68 154.8 20.54 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' S' ' 48' ' ' GLU . 4.0 p-10 -33.9 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.698 0.799 . . . . 0.0 112.295 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -66.99 -52.99 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' S' ' 43' ' ' THR . 58.6 t0 -68.59 -33.55 74.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.777 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.742 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -66.21 -42.34 88.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.544 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 44' ' ' ASP . 4.6 mt-10 -69.46 -35.97 76.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -84.71 -14.26 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.771 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -90.36 -61.21 1.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.388 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.922 HD22 ' CE2' ' S' ' 58' ' ' TYR . 3.5 mp -125.81 5.55 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.441 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.97 13.47 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.465 0.174 . . . . 0.0 110.676 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' S' ' 58' ' ' TYR . 3.4 tpp -112.67 -169.25 1.44 Allowed 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 166.6 22.05 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 21.9 ttt180 -65.8 -31.43 72.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.347 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -8.87 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.901 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' S' ' 53' ' ' MET . 1.2 tp10 -95.3 -57.64 2.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.922 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.2 m-30 -62.04 -28.88 69.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -50.68 -25.81 4.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.306 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.93 -33.37 5.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.707 0.289 . . . . 0.0 111.623 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 9.2 mt -60.81 165.06 6.38 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 62.4 Cg_exo -50.17 157.55 2.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.174 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.814 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -86.15 -19.35 30.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.521 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.9 -46.07 8.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -58.19 -42.71 86.71 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.501 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -64.16 -44.17 92.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.814 HG23 ' O ' ' S' ' 63' ' ' ALA . 50.6 t -60.88 -39.17 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.521 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.7 t30 -43.56 -57.57 3.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.451 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.718 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.893 ' CG ' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -75.43 -49.1 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' S' ' 76' ' ' PHE . 54.9 mttt -61.53 -39.99 93.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.59 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -32.0 59.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.407 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 73' ' ' LYS . . . . . 0.613 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.1 OUTLIER -90.0 -23.2 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.33 17.74 8.58 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.762 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.771 HD11 ' HB1' ' S' ' 50' ' ' ALA . 0.2 OUTLIER -107.56 -69.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.118 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.797 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.733 0.302 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.55 -40.64 72.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.14 -41.66 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -69.37 116.3 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.53 154.21 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -145.41 154.83 42.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 126.55 34.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 60.4 m -92.97 110.87 22.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.8 HG21 ' N ' ' S' ' 43' ' ' THR . 2.5 pt -93.87 158.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.496 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 7.3 m-30 -89.85 139.66 27.68 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' S' ' 23' ' ' ASP . 1.7 Cg_endo -45.68 100.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.925 2.417 . . . . 0.0 113.39 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.624 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.7 OUTLIER -37.1 -32.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 110.878 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.615 ' HA ' ' CB ' ' S' ' 27' ' ' ARG . 4.1 m-20 -70.03 -22.81 63.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.829 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -95.42 -11.84 26.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.241 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.827 HD13 ' CD2' ' S' ' 75' ' ' LEU . 12.3 tp -99.38 2.67 45.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 164.51 44.34 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.498 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.642 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.2 tmt_? -150.77 145.39 18.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.037 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.642 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 19.0 Cg_endo -57.53 64.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.634 2.222 . . . . 0.0 111.851 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.795 HD13 ' HA ' ' S' ' 24' ' ' LEU . 1.1 pt? -65.09 159.22 66.75 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.612 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 63.2 Cg_endo -71.35 -161.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.042 2.495 . . . . 0.0 112.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.88 -11.11 20.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.957 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.495 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.72 -24.97 13.98 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.048 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.779 HG21 ' CD1' ' S' ' 29' ' ' LEU . 17.0 m -82.44 108.94 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.875 -0.662 . . . . 0.0 110.274 178.455 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.479 ' HB2' ' HG2' ' S' ' 37' ' ' LYS . 3.0 m-20 -81.91 105.41 4.44 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.455 ' HA ' HD21 ' S' ' 38' ' ' LEU . 2.2 Cg_endo -42.52 -47.05 7.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.034 2.489 . . . . 0.0 113.752 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.674 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -63.04 -15.59 57.02 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.331 -179.574 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.875 ' HG3' HD13 ' S' ' 40' ' ' ILE . 27.6 pttt -149.57 100.09 2.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.507 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.748 HD13 ' OH ' ' S' ' 41' ' ' TYR . 1.1 mt -87.12 -46.67 9.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.496 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.713 ' HA ' HD11 ' S' ' 42' ' ' LEU . 3.6 pt-20 -42.05 -24.95 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.875 HD13 ' HG3' ' S' ' 37' ' ' LYS . 18.2 pt -60.13 -38.04 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.829 ' HE1' HD13 ' S' ' 24' ' ' LEU . 38.6 p90 -103.61 36.54 2.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.713 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.61 124.17 19.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.8 ' N ' HG21 ' S' ' 18' ' ' ILE . 7.9 t -66.93 -168.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.06 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.436 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -66.5 -37.8 85.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.94 -52.53 55.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.456 ' OD2' ' HB3' ' S' ' 42' ' ' LEU . 56.7 t0 -64.84 -35.37 80.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.669 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -64.09 -45.92 86.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.084 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 48' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 6.0 mt-10 -60.34 -35.84 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.812 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -24.31 30.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' S' ' 51' ' ' LEU . . . -77.37 -60.94 2.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.992 HD22 ' CE2' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -133.29 8.11 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.436 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.489 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 14.7 m-20 66.62 15.11 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.589 0.233 . . . . 0.0 110.842 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -105.52 -166.23 1.19 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.675 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 158.1 44.04 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.623 0.249 . . . . 0.0 110.805 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 7.5 ttm180 -61.26 -29.76 70.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.029 0.442 . . . . 0.0 109.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -88.99 -8.39 54.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.787 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.85 -54.79 3.48 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.679 0.752 . . . . 0.0 109.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.992 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.4 m-30 -68.25 -26.63 65.78 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.859 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -48.55 -27.22 2.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.532 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.62 -28.92 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.62 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.747 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.69 151.63 70.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.799 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.747 ' HD2' HD23 ' S' ' 61' ' ' LEU . 4.3 Cg_exo -41.33 142.8 0.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.275 2.65 . . . . 0.0 112.214 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.906 ' O ' HG13 ' S' ' 67' ' ' VAL . . . -74.33 -19.14 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.773 ' O ' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER -90.39 -42.78 10.72 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -63.19 -37.77 88.55 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.693 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -65.23 -42.03 93.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.968 HG12 ' CZ ' ' S' ' 76' ' ' PHE . 3.2 m -69.46 -37.75 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.59 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 66.6 t30 -42.24 -41.54 2.77 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.853 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.657 ' HB3' ' HB3' ' S' ' 51' ' ' LEU . 0.8 OUTLIER -79.52 -45.61 18.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.486 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.844 ' HB3' ' H ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -68.36 -32.96 73.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.792 0.33 . . . . 0.0 110.457 -179.476 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.429 ' HD2' HG23 ' S' ' 67' ' ' VAL . 2.3 mtpt -64.58 -39.95 94.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.948 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.11 70.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.484 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -89.9 -25.29 21.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.41 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.43 24.16 7.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.533 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.827 ' CD2' HD13 ' S' ' 25' ' ' LEU . 4.2 mt -94.39 -82.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.968 ' CZ ' HG12 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.854 0.359 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 11' ' ' LEU . . . . . 0.504 ' H ' HD12 ' S' ' 11' ' ' LEU . 0.8 OUTLIER -71.89 -38.08 70.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.63 -57.1 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.321 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -127.98 175.01 8.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -129.69 149.38 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -138.99 150.36 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -93.53 129.15 39.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -130.94 127.59 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.617 HG23 ' O ' ' S' ' 41' ' ' TYR . 5.1 mp -89.28 142.98 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-O 121.179 0.514 . . . . 0.0 111.856 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 8.0 m-30 -92.75 134.41 27.71 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -49.0 115.51 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.9 2.4 . . . . 0.0 113.353 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.578 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -40.84 -32.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.074 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.58 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.144 0.497 . . . . 0.0 110.558 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.687 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 2.6 m-20 -61.14 -24.59 66.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.184 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.889 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -102.32 -9.86 20.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.543 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.638 HD13 HD21 ' S' ' 75' ' ' LEU . 11.6 tp -100.66 4.85 43.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 162.49 42.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.78 0.324 . . . . 0.0 111.485 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.687 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.88 141.55 14.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.665 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 10.4 Cg_endo -52.71 71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.694 2.263 . . . . 0.0 112.078 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 1.075 HD12 HG21 ' S' ' 33' ' ' VAL . 0.6 OUTLIER -71.86 159.36 85.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.48 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.54 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 90.7 Cg_endo -77.41 -160.86 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.9 2.4 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.18 -6.97 22.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.933 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.461 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.87 -25.96 17.2 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 1.075 HG21 HD12 ' S' ' 29' ' ' LEU . 15.2 m -76.29 157.45 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.284 -0.958 . . . . 0.0 109.784 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.52 ' HB3' HD22 ' S' ' 36' ' ' LEU . 1.4 m-20 -125.22 108.65 27.2 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.455 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 23.0 Cg_endo -60.42 -13.74 26.55 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.762 2.308 . . . . 0.0 114.393 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.586 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.5 OUTLIER -77.89 -8.29 57.87 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 111.733 -179.588 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.586 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER 171.49 89.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' S' ' 75' ' ' LEU . 8.1 mt -56.69 -30.32 63.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.704 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -39.59 -26.96 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -70.47 -36.34 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.419 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.889 ' CE1' HD13 ' S' ' 24' ' ' LEU . 52.8 p90 -97.53 35.41 1.65 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.3 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.677 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.58 ' H ' HG21 ' S' ' 18' ' ' ILE . 5.1 t -63.04 -170.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.496 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 21.4 p-10 -65.75 -32.74 74.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.35 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.64 -49.02 67.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 37.2 t0 -67.74 -38.56 83.67 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.705 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.6 OUTLIER -62.77 -42.16 99.56 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.212 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.34 -46.06 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.344 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.0 -16.59 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.01 -23.85 14.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' S' ' 58' ' ' TYR . 12.7 mt -141.57 -4.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' S' ' 47' ' ' PHE . 5.3 m-20 62.3 13.59 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.628 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -127.4 -159.28 0.93 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.543 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 1.1 p -133.74 155.91 48.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.816 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 1.0 OUTLIER -59.63 -27.73 66.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.95 -9.26 54.14 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.652 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.514 ' HG3' HD12 ' S' ' 61' ' ' LEU . 1.4 tt0 -95.14 -57.86 2.31 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.746 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -60.43 -28.79 68.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.25 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -54.44 -25.51 25.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.281 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.58 -29.3 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.76 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.578 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.3 OUTLIER -60.86 168.6 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.719 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.578 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.38 160.23 3.71 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.065 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.824 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.07 -21.03 24.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.663 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.48 -43.59 10.15 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.567 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.4 OUTLIER -60.84 -42.86 98.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.737 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.591 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.97 -43.26 99.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.824 HG23 ' O ' ' S' ' 63' ' ' ALA . 77.7 t -64.06 -39.79 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.56 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 57.7 t30 -43.17 -55.86 3.72 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.128 0.489 . . . . 0.0 111.22 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.429 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 3.5 mm? -69.99 -38.72 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.755 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.765 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -63.29 -47.05 83.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.766 -179.2 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.43 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 16.4 mttp -57.51 -35.8 70.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -26.69 66.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.334 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -17.38 28.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.29 -11.15 28.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.827 -0.702 . . . . 0.0 113.259 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' S' ' 38' ' ' LEU . 3.9 mt -84.18 -71.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.765 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.284 179.155 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ptt? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.733 0.302 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.95 -44.32 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.01 -55.01 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -72.33 167.34 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 14' ' ' LEU . . . . . 0.465 HD22 ' N ' ' S' ' 14' ' ' LEU . 3.6 mm? -96.98 155.56 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.58 118.08 35.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -90.44 124.24 34.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -108.0 110.92 22.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.623 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.621 HG21 ' H ' ' S' ' 43' ' ' THR . 5.3 mp -89.61 147.08 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.277 0.561 . . . . 0.0 111.945 -179.307 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.629 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 19.3 m-30 -98.59 134.42 21.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.66 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.3 Cg_endo -48.51 136.91 26.2 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.862 2.374 . . . . 0.0 112.765 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.7 OUTLIER -57.95 -45.24 86.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.258 -179.434 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.93 72.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.427 0.632 . . . . 0.0 110.907 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.514 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.6 OUTLIER -50.14 -21.42 1.29 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.398 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -115.64 -27.45 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.413 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.669 HD12 HD21 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -62.41 -13.52 30.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.239 -179.531 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 166.45 47.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 179.675 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.735 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.48 142.34 15.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.766 -179.341 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.735 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 96.5 Cg_exo -40.48 79.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.399 2.066 . . . . 0.0 111.837 178.518 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.865 HD22 HG11 ' S' ' 33' ' ' VAL . 2.4 pp -76.29 155.64 83.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.489 -1.232 . . . . 0.0 112.651 -178.642 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.629 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 55.8 Cg_endo -66.46 -162.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.861 3.041 . . . . 0.0 113.21 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -96.26 -42.5 8.14 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.44 -26.99 3.89 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 119.804 -1.189 . . . . 0.0 110.216 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -81.15 111.24 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 114.786 -0.707 . . . . 0.0 109.645 178.304 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.631 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.7 m-20 -96.6 126.56 42.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.18 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.5 ' HA ' HD21 ' S' ' 38' ' ' LEU . 19.3 Cg_endo -58.18 -38.37 91.56 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.774 2.316 . . . . 0.0 113.58 -178.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.815 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -76.35 -20.58 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.825 -179.25 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.73 ' O ' HD12 ' S' ' 40' ' ' ILE . 0.2 OUTLIER -132.74 91.85 2.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 110.233 179.455 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.796 HD22 ' CE2' ' S' ' 41' ' ' TYR . 8.1 mt -88.14 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.79 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -39.2 -25.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.695 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.9 HD13 ' N ' ' S' ' 41' ' ' TYR . 0.0 OUTLIER -77.45 -23.81 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.841 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.975 ' CD2' HG22 ' S' ' 33' ' ' VAL . 0.1 OUTLIER -95.77 25.7 4.48 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.651 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.14 115.91 11.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.23 179.751 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.691 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.9 t -59.7 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.991 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.9 p30 -68.0 -39.35 83.24 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 122.731 0.412 . . . . 0.0 110.38 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.34 -51.53 65.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 12.5 t0 -66.47 -35.42 80.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.336 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.98 -43.69 98.1 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 178.082 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.14 -43.05 77.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.439 -179.195 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.1 -37.15 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' S' ' 70' ' ' LYS . 1.4 mt -140.01 1.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.249 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 61.41 13.75 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.334 -0.147 . . . . 0.0 111.183 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.642 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.71 -161.17 0.83 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.576 179.472 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 2.8 p -133.97 151.75 51.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.2 -25.71 64.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.513 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.95 -8.99 47.72 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' S' ' 61' ' ' LEU . 2.1 tt0 -93.32 -56.53 2.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.372 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.664 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -62.41 -31.69 72.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.043 177.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.9 OUTLIER -51.35 -26.07 7.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.289 179.558 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.42 -30.9 5.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.654 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.46 HD12 ' HG2' ' S' ' 57' ' ' GLU . 7.8 mt -60.78 159.13 27.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.712 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.427 ' HD2' HD22 ' S' ' 61' ' ' LEU . 67.9 Cg_exo -49.84 143.75 22.55 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.38 2.054 . . . . 0.0 111.851 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.813 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -74.74 -15.0 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.939 -179.469 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.72 -45.82 8.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.37 -42.02 94.94 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.494 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' S' S ' 66' ' ' GLN . . . . . 0.549 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 14.7 pt20 -62.71 -44.09 97.12 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.888 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.852 HG13 ' O ' ' S' ' 76' ' ' PHE . 77.7 t -63.26 -38.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.264 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.559 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.5 t30 -45.86 -60.37 2.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 111.502 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' S' ' 69' ' ' LEU . 9.1 tp -72.35 -12.8 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.855 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.886 ' HG2' HD11 ' S' ' 51' ' ' LEU . 30.9 mtpt -74.49 -46.06 41.95 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.428 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 20.1 mttt -63.3 -37.46 87.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.139 179.222 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.57 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -16.29 30.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.23 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.36 -11.52 28.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.484 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' S' ' 38' ' ' LEU . 7.8 mt -81.24 -73.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.767 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.852 ' O ' HG13 ' S' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 O-C-N 124.363 1.039 . . . . 0.0 111.95 178.539 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.86 -42.15 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.35 -31.17 33.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -103.66 150.07 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.05 119.61 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 p -146.93 122.29 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -76.81 125.72 29.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.62 124.87 12.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 18' ' ' ILE . . . . . 0.532 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -89.79 130.33 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 19' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.8 m-30 -93.85 140.09 22.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.832 179.365 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 20' ' ' PRO . . . . . 0.457 ' O ' HD23 ' S' ' 24' ' ' LEU . 5.9 Cg_endo -47.73 106.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.266 2.644 . . . . 0.0 113.515 -178.529 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 21' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -40.23 -36.26 0.5 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.232 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.18 77.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.923 0.392 . . . . 0.0 111.232 -179.354 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 23' ' ' ASP . . . . . 0.587 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.4 OUTLIER -65.15 -27.38 68.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -179.103 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 24' ' ' LEU . . . . . 0.885 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -95.51 -17.71 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.04 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 25' ' ' LEU . . . . . 0.674 HD11 ' O ' ' S' ' 73' ' ' LYS . 7.7 tp -81.76 -10.66 59.29 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.155 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 26' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 39.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 27' ' ' ARG . . . . . 0.698 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.85 154.0 34.09 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.238 179.133 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 28' ' ' PRO . . . . . 0.521 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.2 Cg_endo -44.89 72.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.244 2.629 . . . . 0.0 112.353 178.588 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 29' ' ' LEU . . . . . 0.934 HD13 ' CG1' ' S' ' 33' ' ' VAL . 2.6 pp -69.71 155.16 94.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.547 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 30' ' ' PRO . . . . . 0.578 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 68.2 Cg_endo -70.94 -162.95 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.388 2.725 . . . . 0.0 113.372 -179.107 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -93.1 -40.01 10.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.583 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 32' ' ' GLY . . . . . 0.471 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -45.73 -29.87 3.2 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 177.958 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 33' ' ' VAL . . . . . 0.945 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -74.08 113.87 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.211 -0.994 . . . . 0.0 108.818 177.366 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 34' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' S' ' 36' ' ' LEU . 4.6 m-20 -90.33 126.74 55.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.219 -178.881 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 35' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 65.4 Cg_endo -73.68 -16.38 23.81 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.588 2.192 . . . . 0.0 113.579 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 36' ' ' LEU . . . . . 0.631 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -78.7 -14.36 59.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.669 0.271 . . . . 0.0 111.644 -179.623 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 37' ' ' LYS . . . . . 0.503 ' N ' HD22 ' S' ' 36' ' ' LEU . 3.2 pttt -177.72 114.34 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 38' ' ' LEU . . . . . 0.763 HD22 ' OH ' ' S' ' 41' ' ' TYR . 2.5 mt -87.46 -36.34 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.879 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 39' ' ' GLU . . . . . 0.678 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -44.73 -25.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.672 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 40' ' ' ILE . . . . . 0.435 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -68.33 -38.37 79.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.828 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 41' ' ' TYR . . . . . 0.945 ' CZ ' HG22 ' S' ' 33' ' ' VAL . 27.3 p90 -96.25 35.61 1.43 Allowed 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 42' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.4 115.54 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.596 177.429 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 43' ' ' THR . . . . . 0.672 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -60.87 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.09 179.454 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 44' ' ' ASP . . . . . 0.43 ' H ' HG22 ' S' ' 43' ' ' THR . 20.7 p-10 -66.62 -36.91 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.247 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.61 -50.99 55.43 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.946 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 46' ' ' ASP . . . . . 0.417 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 14.9 t0 -65.4 -31.83 73.14 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.163 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 47' ' ' PHE . . . . . 0.672 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.09 -47.03 69.33 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.292 177.995 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.59 -51.74 68.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.651 -178.988 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -75.18 -15.66 60.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.28 -61.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 51' ' ' LEU . . . . . 0.827 HD22 ' HE2' ' S' ' 58' ' ' TYR . 2.3 mt -109.17 -9.85 15.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.919 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 52' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' S' ' 47' ' ' PHE . 3.4 m-20 70.11 13.48 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.519 0.199 . . . . 0.0 111.181 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 53' ' ' MET . . . . . 0.63 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -119.88 -159.94 0.8 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.449 179.378 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 54' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.36 159.12 41.24 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.582 179.85 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 55' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.6 OUTLIER -62.18 -28.45 69.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.76 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -92.22 -8.96 43.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.441 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 0.0 OUTLIER -90.56 -49.76 6.31 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.605 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 58' ' ' TYR . . . . . 0.827 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -71.36 -32.17 68.19 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.333 178.419 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 59' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.1 m-20 -51.15 -28.07 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.295 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.34 -34.96 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.506 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 61' ' ' LEU . . . . . 0.544 HD22 ' HD2' ' S' ' 62' ' ' PRO . 7.8 mt -60.69 160.53 18.94 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.468 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 62' ' ' PRO . . . . . 0.544 ' HD2' HD22 ' S' ' 61' ' ' LEU . 77.7 Cg_exo -49.35 161.67 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.256 1.971 . . . . 0.0 111.82 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 63' ' ' ALA . . . . . 0.855 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -84.2 -20.24 32.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.673 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 64' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.35 -43.87 10.05 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.563 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 65' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.09 96.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.566 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -63.92 -41.59 97.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.004 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 67' ' ' VAL . . . . . 0.855 HG23 ' O ' ' S' ' 63' ' ' ALA . 97.4 t -66.44 -39.36 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 68' ' ' ASN . . . . . 0.53 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -40.42 -50.45 2.87 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.528 179.058 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 69' ' ' LEU . . . . . 0.731 ' HB3' HD23 ' S' ' 51' ' ' LEU . 1.8 mm? -77.01 -28.93 55.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 70' ' ' LYS . . . . . 0.82 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.6 mtmm -64.61 -52.27 58.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.261 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' S' S ' 71' ' ' LYS . . . . . 0.519 ' HG3' HG12 ' S' ' 67' ' ' VAL . 0.2 OUTLIER -61.31 -36.72 80.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.569 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.67 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 73' ' ' LYS . . . . . 0.674 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.5 OUTLIER -89.77 -16.34 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.693 0.282 . . . . 0.0 111.108 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.22 -10.9 28.92 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.162 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' S' S ' 75' ' ' LEU . . . . . 0.642 ' HB3' HD12 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -83.23 -71.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.204 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' S' S ' 76' ' ' PHE . . . . . 0.82 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.733 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.536 HG12 HG23 ' S' ' 43' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 121.009 0.433 . . . . 0.0 111.123 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.672 ' CD2' HG23 ' S' ' 33' ' ' VAL . 6.7 m-30 -96.22 143.97 27.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -45.75 114.81 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 113.166 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.4 pp -41.86 -36.34 1.03 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.931 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -56.33 -51.98 66.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.889 0.376 . . . . 0.0 110.548 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 1.1 m-20 -51.45 -44.56 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.189 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.761 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -84.2 -13.13 53.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.518 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.75 HD13 HD23 ' S' ' 75' ' ' LEU . 12.2 tp -104.68 34.54 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 96.77 49.22 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 136.4 10.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 58.1 Cg_exo -30.68 80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.471 2.781 . . . . 0.0 113.071 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.76 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.2 pp -77.79 158.11 78.49 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.777 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 60.2 Cg_endo -80.24 -159.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.129 2.553 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -93.92 -40.81 9.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.441 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.41 -27.69 5.92 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.322 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.847 HG22 ' CE2' ' S' ' 41' ' ' TYR . 1.2 t -79.56 108.98 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.907 -0.647 . . . . 0.0 109.483 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.596 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.4 m-20 -89.02 123.96 66.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.32 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.506 ' HA ' HD21 ' S' ' 38' ' ' LEU . 19.6 Cg_endo -58.58 -35.14 99.06 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.67 2.247 . . . . 0.0 113.511 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.76 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -77.18 -17.22 58.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.597 ' N ' HD22 ' S' ' 36' ' ' LEU . 0.5 OUTLIER -141.99 88.61 2.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 111.303 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.869 HD22 ' OH ' ' S' ' 41' ' ' TYR . 3.7 mt -87.82 -51.25 5.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.671 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.9 OUTLIER -45.31 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.416 HD12 ' C ' ' S' ' 40' ' ' ILE . 2.4 pp -75.17 -18.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.869 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -111.71 32.97 5.04 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.698 HD12 ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.06 122.42 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.924 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.536 HG23 HG12 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -65.93 156.1 34.5 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.119 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' S' ' 48' ' ' GLU . 6.0 p-10 -34.67 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.288 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -68.04 -55.32 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.459 ' OD2' HD11 ' S' ' 24' ' ' LEU . 47.8 t0 -66.45 -32.86 74.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.876 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.698 ' CG ' HD12 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -70.13 -41.82 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.625 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' S' ' 44' ' ' ASP . 10.1 mt-10 -79.69 -25.13 41.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -85.19 -36.45 21.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.458 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.654 ' CB ' HD11 ' S' ' 75' ' ' LEU . . . -100.38 -22.2 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' S' ' 75' ' ' LEU . 10.0 mt -130.99 -10.75 3.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 53.7 m-20 63.12 13.33 6.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.653 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -130.66 -172.13 2.73 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.615 HG22 ' HB2' ' S' ' 57' ' ' GLU . 8.9 t -133.57 156.93 46.94 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.972 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -51.73 -26.84 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.44 -9.38 50.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.879 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.615 ' HB2' HG22 ' S' ' 54' ' ' THR . 22.0 tp10 -95.53 -55.91 2.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.636 ' CE2' HD22 ' S' ' 51' ' ' LEU . 3.0 m-30 -63.29 -29.42 70.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.496 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.7 m-20 -52.37 -28.1 18.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.294 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.96 -34.6 7.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.623 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.613 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.3 OUTLIER -60.84 161.66 14.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.613 ' HD2' HD23 ' S' ' 61' ' ' LEU . 50.8 Cg_exo -51.48 166.74 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.264 1.976 . . . . 0.0 111.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.671 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.488 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.529 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.3 -45.37 9.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.42 -43.86 98.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.88 -42.33 97.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.671 HG23 ' O ' ' S' ' 63' ' ' ALA . 40.3 t -66.27 -41.0 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.171 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.529 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.3 t30 -40.65 -42.49 1.73 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.545 ' HB3' HD23 ' S' ' 51' ' ' LEU . 2.1 mm? -73.02 -48.1 39.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.444 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.71 ' HG3' HD21 ' S' ' 51' ' ' LEU . 0.4 OUTLIER -48.56 -55.73 10.31 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 110.972 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -60.48 -29.9 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.89 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -25.23 20.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.84 3.12 34.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.731 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' S' ' 51' ' ' LEU . 21.6 mt -62.85 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.434 0.617 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.52 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.774 HD13 ' HA ' ' S' ' 42' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.734 0.302 . . . . 0.0 111.289 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.657 ' CD2' HG23 ' S' ' 33' ' ' VAL . 5.9 m-30 -89.5 142.21 29.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.407 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.2 Cg_endo -49.89 98.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.648 2.232 . . . . 0.0 112.744 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.658 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -35.99 -37.48 0.11 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.577 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.561 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -68.13 -50.73 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.214 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.525 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -56.13 -19.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.947 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.968 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -115.32 -23.59 8.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 31.4 tp -57.14 -19.84 22.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 165.87 40.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.826 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.79 155.89 35.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 119.745 -0.169 . . . . 0.0 110.846 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -34.15 67.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.397 2.731 . . . . 0.0 112.918 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.932 HD12 HG11 ' S' ' 33' ' ' VAL . 0.5 OUTLIER -68.12 158.12 85.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.8 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' S' ' 29' ' ' LEU . 29.3 Cg_endo -60.67 -164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.509 2.806 . . . . 0.0 112.846 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -104.4 -40.16 6.18 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.4 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.5 -27.83 6.17 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.932 HG11 HD12 ' S' ' 29' ' ' LEU . 0.9 OUTLIER -79.48 108.93 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.718 -0.741 . . . . 0.0 109.542 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.568 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.6 m-20 -88.87 125.65 61.94 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.568 ' HA ' HD21 ' S' ' 38' ' ' LEU . 18.2 Cg_endo -59.93 -32.34 95.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.44 2.093 . . . . 0.0 113.215 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.842 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -76.7 -20.16 56.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.195 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.842 ' HE2' HD21 ' S' ' 36' ' ' LEU . 0.6 OUTLIER -138.77 91.81 2.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.081 0.467 . . . . 0.0 110.55 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.691 HD12 ' C ' ' S' ' 75' ' ' LEU . 10.2 mt -87.7 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.108 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.686 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.6 OUTLIER -42.06 -26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.573 HD12 ' N ' ' S' ' 41' ' ' TYR . 2.2 pp -75.36 -31.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.968 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -91.25 21.62 4.3 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.68 129.19 34.42 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.911 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.658 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.1 t -72.22 -169.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.014 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 14.7 p-10 -66.23 -34.8 78.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.68 -52.91 54.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.522 ' OD2' HD11 ' S' ' 18' ' ' ILE . 19.9 t0 -66.13 -38.66 88.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.788 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -60.85 -42.94 98.8 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.346 178.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 1.4 mt-10 -59.43 -49.04 79.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.943 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -14.22 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 1.025 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.18 -46.99 5.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.85 ' HG ' HD12 ' S' ' 75' ' ' LEU . 6.1 mt -120.5 -2.02 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 0.8 OUTLIER 62.09 13.42 5.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.447 0.165 . . . . 0.0 111.385 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.527 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 3.0 tpp -123.67 -159.15 0.84 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.442 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.61 152.16 51.84 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.73 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 31.3 ttm180 -57.56 -25.58 60.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.21 -9.47 45.18 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.47 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.402 ' HG2' ' CD1' ' S' ' 61' ' ' LEU . 4.0 tt0 -93.05 -54.81 3.58 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.839 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.3 m-85 -61.86 -32.31 72.65 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.646 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.4 OUTLIER -54.36 -28.55 43.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.302 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.42 -30.55 8.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.604 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.9 163.46 9.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.841 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.547 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.04 165.75 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.466 2.11 . . . . 0.0 112.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.71 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.21 -26.39 22.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 111.266 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.11 -44.8 9.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -62.13 -43.44 98.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.514 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.97 -39.62 90.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.71 HG23 ' O ' ' S' ' 63' ' ' ALA . 46.5 t -69.31 -39.98 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.047 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.4 t30 -40.43 -43.03 1.72 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.433 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 1.5 mm? -76.36 -47.81 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.085 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.749 ' HG2' HD11 ' S' ' 51' ' ' LEU . 35.0 mttt -50.3 -53.92 25.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.175 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -67.82 -26.61 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.84 -25.48 32.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.43 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -89.96 -25.05 21.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.0 -11.09 29.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 1.025 HD11 ' HB1' ' S' ' 50' ' ' ALA . 16.1 mt -57.58 -83.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.121 0.46 . . . . 0.0 110.039 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' CD ' ' S' ' 70' ' ' LYS . 1.6 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.986 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.714 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.3 mp . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 120.923 0.392 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.768 ' CD2' HG13 ' S' ' 33' ' ' VAL . 4.9 m-30 -92.44 139.42 23.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 10.0 Cg_endo -51.48 111.12 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.548 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.2 pp -42.8 -42.98 3.79 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.327 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.479 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -61.88 -56.88 14.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.203 0.525 . . . . 0.0 110.908 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.533 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.3 OUTLIER -48.5 -21.9 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.522 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.931 ' CB ' HD23 ' S' ' 29' ' ' LEU . 0.2 OUTLIER -115.07 -28.93 6.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.813 HD12 HD23 ' S' ' 75' ' ' LEU . 2.0 tp -62.66 -17.24 60.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.847 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 176.83 43.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.089 0.471 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.687 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.35 143.31 16.38 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.687 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.0 Cg_exo -48.88 82.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.16 1.907 . . . . 0.0 111.646 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 1.038 HD22 HG21 ' S' ' 33' ' ' VAL . 0.2 OUTLIER -80.11 157.95 72.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.998 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 41.2 Cg_endo -65.33 -162.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.734 2.289 . . . . 0.0 111.51 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.75 -18.56 16.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.497 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.34 -26.34 13.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.31 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 1.038 HG21 HD22 ' S' ' 29' ' ' LEU . 10.4 m -83.37 108.57 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.205 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.515 ' O ' HD23 ' S' ' 38' ' ' LEU . 71.8 m-20 -78.04 110.05 12.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.582 ' HA ' HD21 ' S' ' 38' ' ' LEU . 9.9 Cg_endo -51.92 -21.19 11.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.716 2.277 . . . . 0.0 113.723 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.634 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -95.15 1.49 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' S' ' 37' ' ' LYS . 12.7 ptpt -158.39 84.79 0.85 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.166 0.507 . . . . 0.0 110.175 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.705 HD13 ' OH ' ' S' ' 41' ' ' TYR . 5.3 mt -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.837 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.6 ' HA ' HD11 ' S' ' 42' ' ' LEU . 22.2 pt-20 -44.14 -24.07 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.87 -33.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.786 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -90.48 25.61 2.22 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.714 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -134.99 122.21 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.783 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.88 -174.03 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.636 178.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.442 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.9 p-10 -62.11 -39.99 94.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.424 0.452 . . . . 0.0 110.707 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.54 -54.8 30.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 12.2 t0 -62.82 -34.35 77.11 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.783 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -63.5 -48.02 79.32 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.575 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.67 -40.03 82.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.546 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -92.34 -10.94 36.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.763 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -99.78 -39.32 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.851 HD21 ' CD ' ' S' ' 70' ' ' LYS . 0.5 OUTLIER -136.95 4.3 2.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.18 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.83 13.33 4.36 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.432 -0.168 . . . . 0.0 111.24 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -128.29 -167.01 1.7 Allowed 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.521 ' CG2' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.3 170.91 14.76 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 23.4 ttt180 -69.47 -29.52 67.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -87.26 -9.67 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.868 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.647 ' CG ' HD12 ' S' ' 61' ' ' LEU . 1.3 tp10 -95.64 -59.89 1.77 Allowed 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.728 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -56.71 -33.26 66.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.541 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -47.67 -28.32 2.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.48 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.0 -30.17 5.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.647 HD12 ' CG ' ' S' ' 57' ' ' GLU . 2.9 mt -60.86 162.3 12.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.829 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.475 ' CD ' HD23 ' S' ' 61' ' ' LEU . 52.7 Cg_exo -52.58 143.78 44.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.379 2.052 . . . . 0.0 112.024 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.833 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -72.46 -17.22 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.703 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.4 -44.04 9.9 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -60.75 -42.82 98.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.833 HG23 ' O ' ' S' ' 63' ' ' ALA . 55.7 t -66.1 -39.69 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.549 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 53.5 t30 -42.18 -49.71 4.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.545 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.549 ' CB ' HD23 ' S' ' 51' ' ' LEU . 3.4 mm? -67.29 -38.18 84.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.068 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.851 ' CD ' HD21 ' S' ' 51' ' ' LEU . 0.2 OUTLIER -55.11 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -50.43 -28.58 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.02 55.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.46 -25.42 14.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 0.38 29.9 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.888 -0.673 . . . . 0.0 114.225 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.813 HD23 HD12 ' S' ' 25' ' ' LEU . 21.2 mt -65.45 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.881 0.841 . . . . 0.0 109.84 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.653 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.637 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.704 HG23 ' HA ' ' S' ' 42' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.454 -0.255 0 CA-C-O 120.8 0.334 . . . . 0.0 111.338 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.536 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 6.8 m-30 -90.81 142.01 27.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.34 110.85 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.616 2.211 . . . . 0.0 112.842 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.663 HD12 ' N ' ' S' ' 22' ' ' ALA . 2.5 pp -43.7 -38.93 3.37 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.663 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -59.32 -47.62 84.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.908 0.385 . . . . 0.0 111.021 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 9.5 m-20 -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.916 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.846 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -84.33 -19.5 33.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.795 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.859 HD13 HD23 ' S' ' 75' ' ' LEU . 23.3 tp -83.18 -9.72 59.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 173.25 37.72 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.599 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.48 147.81 22.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.278 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.526 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 77.5 Cg_exo -49.77 75.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.821 2.347 . . . . 0.0 112.053 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.764 HD12 HG11 ' S' ' 33' ' ' VAL . 1.0 OUTLIER -73.26 157.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.387 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 43.2 Cg_endo -66.28 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.946 2.431 . . . . 0.0 112.278 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.99 -11.75 18.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.872 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.74 -26.62 11.0 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.281 -1.437 . . . . 0.0 109.545 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.764 HG11 HD12 ' S' ' 29' ' ' LEU . 8.9 m -79.17 155.88 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 114.443 -0.878 . . . . 0.0 109.903 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.569 ' HB3' HD21 ' S' ' 36' ' ' LEU . 1.0 OUTLIER -125.17 102.83 30.37 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.688 ' HA ' HD21 ' S' ' 38' ' ' LEU . 1.0 OUTLIER -44.59 -42.01 14.38 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.903 2.402 . . . . 0.0 113.734 -178.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.668 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -65.41 -14.74 61.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.769 0.318 . . . . 0.0 111.396 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.617 ' HD3' HD23 ' S' ' 36' ' ' LEU . 10.1 pttt -160.48 96.07 1.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.72 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 6.5 mt -80.03 -53.14 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.632 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -37.12 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.516 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.5 pp -58.64 -27.15 33.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.846 ' HE1' HD13 ' S' ' 24' ' ' LEU . 28.9 p90 -106.77 33.28 4.01 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.704 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.4 OUTLIER -138.59 115.96 11.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.103 178.463 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.752 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 4.1 t -59.76 -170.18 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 1.5 p30 -64.05 -38.33 90.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.769 0.428 . . . . 0.0 110.746 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.8 -53.61 37.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 18.2 t0 -64.47 -30.56 71.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.752 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -68.67 -47.12 67.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.638 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.15 -45.43 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.136 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -17.15 38.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.913 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.15 -44.78 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.772 ' HG ' HD12 ' S' ' 75' ' ' LEU . 2.3 mt -123.03 -5.91 8.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' S' ' 47' ' ' PHE . 2.5 m-20 62.83 13.59 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.491 0.186 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.577 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -122.25 -162.67 1.01 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.514 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -133.43 159.21 41.03 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.656 0.265 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 27.5 ttm180 -63.45 -31.5 72.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 0.0 109.877 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.85 -8.59 54.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.628 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' S' ' 61' ' ' LEU . 3.1 tt0 -92.48 -58.57 2.32 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.737 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.4 m-30 -60.28 -33.32 72.17 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.425 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.5 OUTLIER -50.27 -24.99 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.345 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.23 -34.73 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.284 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.752 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.87 161.45 15.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.61 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.752 ' HD2' HD23 ' S' ' 61' ' ' LEU . 71.4 Cg_exo -49.48 158.18 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.447 2.098 . . . . 0.0 112.208 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.655 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.97 -17.62 30.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.641 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.17 -44.82 9.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -45.3 94.71 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.507 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.79 -39.5 89.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' S' ' 76' ' ' PHE . 16.0 t -67.1 -40.99 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 55.1 t30 -43.97 -35.82 2.21 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.2 mm? -77.99 -48.73 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.817 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.728 ' HD3' HD11 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -53.09 -49.66 65.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.502 -179.417 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.46 -27.9 68.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.383 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.97 -30.57 44.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.317 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -94.51 -25.26 16.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.1 -7.45 29.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.766 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.913 HD11 ' HB1' ' S' ' 50' ' ' ALA . 58.0 mt -51.61 -85.53 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 117.626 0.713 . . . . 0.0 109.966 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.665 ' CE2' HG22 ' S' ' 67' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.783 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.725 ' CG1' HG23 ' S' ' 43' ' ' THR . 28.7 mm . . . . . 0 N--CA 1.452 -0.367 0 CA-C-O 120.89 0.376 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.611 ' CD2' HG13 ' S' ' 33' ' ' VAL . 1.8 m-30 -89.73 130.28 43.62 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.478 ' O ' HD23 ' S' ' 24' ' ' LEU . 8.3 Cg_endo -51.21 105.81 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.776 2.317 . . . . 0.0 112.778 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.595 ' O ' HD23 ' S' ' 25' ' ' LEU . 0.8 OUTLIER -40.56 -37.35 0.7 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.091 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.75 95.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.774 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.554 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 5.3 m-20 -66.73 -34.97 79.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.872 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.924 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -89.1 -11.87 42.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.771 ' O ' HD12 ' S' ' 25' ' ' LEU . 2.5 pp -109.25 11.89 25.15 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 176.42 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.587 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.88 154.29 34.37 Favored Pre-proline 0 N--CA 1.463 0.187 0 O-C-N 121.89 -0.506 . . . . 0.0 111.429 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.454 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 10.2 Cg_endo -50.86 76.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.047 2.498 . . . . 0.0 111.809 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.899 ' CD1' HG21 ' S' ' 33' ' ' VAL . 1.5 pt? -74.62 151.48 87.11 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.014 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 36.8 Cg_endo -63.44 -161.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.068 2.512 . . . . 0.0 111.927 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.75 -17.05 15.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.485 ' HA3' ' CZ ' ' S' ' 19' ' ' TYR . . . -50.53 -27.26 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 119.45 -1.357 . . . . 0.0 109.871 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.917 HG12 ' CE1' ' S' ' 41' ' ' TYR . 16.7 m -81.18 126.17 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 114.611 -0.794 . . . . 0.0 110.215 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.558 ' O ' HD23 ' S' ' 38' ' ' LEU . 4.7 m-20 -95.3 103.76 13.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.542 ' HA ' HD21 ' S' ' 38' ' ' LEU . 6.2 Cg_exo -39.89 -44.17 3.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.052 2.502 . . . . 0.0 113.651 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.744 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -73.17 -20.98 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.082 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.792 ' HE3' HG21 ' S' ' 40' ' ' ILE . 1.7 ptmt -138.84 92.96 2.65 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.668 0.271 . . . . 0.0 110.771 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.782 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 7.8 mt -88.06 -50.33 6.47 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.632 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -49.73 -19.9 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.792 HG21 ' HE3' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -72.03 -32.84 45.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.924 ' CE1' HD13 ' S' ' 24' ' ' LEU . 31.6 p90 -100.59 33.88 2.6 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.782 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -137.99 123.56 19.7 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.08 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.725 HG23 ' CG1' ' S' ' 18' ' ' ILE . 8.1 p -67.1 -176.96 0.59 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.067 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 18.4 p-10 -60.98 -33.37 73.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.49 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.57 -51.26 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' S' ' 21' ' ' LEU . 6.0 t0 -66.1 -38.02 87.2 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.782 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -62.03 -44.61 96.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.344 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' S' ' 44' ' ' ASP . 2.4 mt-10 -58.18 -46.68 85.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.678 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -14.75 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.49 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -100.16 -43.88 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.843 HD21 ' HG3' ' S' ' 70' ' ' LYS . 5.1 mt -125.53 -5.33 7.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' S' ' 47' ' ' PHE . 27.6 m-20 64.87 13.29 8.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.293 -0.163 . . . . 0.0 111.314 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.651 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.56 -159.05 0.85 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.489 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -133.65 153.67 51.5 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.6 OUTLIER -61.93 -25.62 67.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -90.81 -9.37 46.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.267 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.617 ' HG3' HD12 ' S' ' 61' ' ' LEU . 7.4 tp10 -94.27 -54.37 3.58 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -62.14 -32.57 73.18 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.931 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.0 m-20 -51.52 -25.82 7.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.25 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.01 -32.46 6.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.588 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.617 HD12 ' HG3' ' S' ' 57' ' ' GLU . 0.8 OUTLIER -60.76 168.49 2.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.802 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.512 ' CD ' HD23 ' S' ' 61' ' ' LEU . 49.5 Cg_exo -54.44 160.68 6.55 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 112.063 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.816 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.17 -24.36 23.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.255 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -45.49 8.89 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.68 97.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.295 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.436 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.02 -40.52 98.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.816 HG23 ' O ' ' S' ' 63' ' ' ALA . 74.9 t -67.7 -39.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.539 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 54.9 t30 -41.92 -42.12 2.67 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 110.736 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.54 ' HB3' HD23 ' S' ' 51' ' ' LEU . 2.7 mm? -72.84 -47.88 42.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.843 ' HG3' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -49.54 -61.95 1.82 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -48.75 -40.75 29.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.41 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -90.19 -25.34 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 41.31 3.85 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.227 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 5.1 mt -108.4 -79.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.798 ' CD1' ' HD2' ' S' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.659 HG23 ' HA ' ' S' ' 42' ' ' LEU . 4.2 mp . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.959 0.409 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.523 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.5 m-30 -99.5 156.97 34.8 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.505 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 5.7 Cg_endo -49.19 100.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.926 2.417 . . . . 0.0 112.87 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.592 ' HA ' HD11 ' S' ' 24' ' ' LEU . 2.3 pp -39.02 -33.93 0.14 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.47 73.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.559 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.3 OUTLIER -66.61 -28.87 68.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.999 ' HA ' HD23 ' S' ' 29' ' ' LEU . 0.1 OUTLIER -89.17 -19.96 24.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.679 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.92 HD12 ' CD2' ' S' ' 75' ' ' LEU . 1.6 tp -72.19 -22.17 61.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 163.38 48.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.722 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 154.25 34.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 110.966 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.485 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.1 Cg_endo -43.56 71.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.248 2.632 . . . . 0.0 112.158 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.999 HD23 ' HA ' ' S' ' 24' ' ' LEU . 0.4 OUTLIER -71.05 150.2 94.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.655 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 11.8 Cg_endo -54.97 -164.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.372 2.715 . . . . 0.0 113.208 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' S' ' 33' ' ' VAL . 4.4 tp10 -96.97 -39.61 9.28 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.85 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.467 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -45.69 -28.74 2.68 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.955 HG22 ' CE2' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -75.62 130.41 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 114.021 -1.09 . . . . 0.0 109.178 177.433 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 18.1 m-20 -97.39 139.43 21.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.379 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.73 -7.13 13.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.165 . . . . 0.0 113.963 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.586 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -115.02 10.67 16.29 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.753 -179.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.556 ' HG3' HG12 ' S' ' 40' ' ' ILE . 11.0 pttm -172.55 93.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.088 0.471 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.769 HD22 ' OH ' ' S' ' 41' ' ' TYR . 2.7 mt -87.45 -49.36 7.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.103 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.753 ' HA ' HD11 ' S' ' 42' ' ' LEU . 7.7 pt-20 -39.22 -27.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.757 HD12 ' N ' ' S' ' 41' ' ' TYR . 2.3 pp -73.9 -36.59 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.955 ' CE2' HG22 ' S' ' 33' ' ' VAL . 0.5 OUTLIER -89.87 27.82 1.48 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.753 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.51 119.1 13.93 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.203 178.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.745 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.1 t -60.04 -166.99 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.44 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 23.5 p-10 -66.15 -39.45 89.81 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.795 0.438 . . . . 0.0 110.417 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.21 -54.69 25.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.43 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 21.5 t0 -62.83 -30.09 71.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.745 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.27 -48.82 63.99 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.446 178.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -56.31 -51.94 66.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.581 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -15.15 60.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.786 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.32 -61.42 1.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.967 HD11 ' HD3' ' S' ' 70' ' ' LYS . 3.0 mt -108.36 -10.7 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.875 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' S' ' 47' ' ' PHE . 11.5 m-20 70.08 13.42 7.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.603 0.24 . . . . 0.0 110.956 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.619 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -120.65 -160.35 0.83 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.548 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -133.48 154.53 50.74 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.0 ttp85 -61.99 -29.8 70.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -89.39 -8.78 52.41 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.97 -58.29 2.38 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.613 ' HE2' HD22 ' S' ' 51' ' ' LEU . 1.6 m-30 -60.94 -32.16 71.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.412 177.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -48.92 -27.35 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.602 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.33 -32.3 7.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.756 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.94 160.2 22.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.782 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.756 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.2 Cg_exo -53.59 139.51 66.54 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.312 2.008 . . . . 0.0 111.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.829 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -63.82 -17.51 63.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.012 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.531 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.23 -41.54 11.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -41.97 98.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.79 -39.5 94.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.829 HG23 ' O ' ' S' ' 63' ' ' ALA . 78.6 t -66.82 -40.48 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.531 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.2 t30 -43.43 -52.65 5.9 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.415 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.463 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.4 mm? -67.3 -35.67 79.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.42 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.967 ' HD3' HD11 ' S' ' 51' ' ' LEU . 2.1 mmmm -53.54 -61.09 2.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.94 0.4 . . . . 0.0 110.672 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -64.97 -28.81 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.972 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.7 -34.61 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -25.34 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.674 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.82 5.47 41.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.173 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.92 ' CD2' HD12 ' S' ' 25' ' ' LEU . 2.0 mt -58.27 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.112 0.456 . . . . 0.0 110.307 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.637 ' CE2' HG13 ' S' ' 67' ' ' VAL . 1.4 m-85 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.209 -0.9 . . . . 0.0 112.244 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.726 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.4 mp . . . . . 0 N--CA 1.451 -0.393 0 CA-C-O 120.878 0.371 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -89.85 142.16 28.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.46 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 11.9 Cg_endo -53.47 107.24 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.651 2.234 . . . . 0.0 112.755 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.645 HD12 ' N ' ' S' ' 22' ' ' ALA . 1.1 pp -38.27 -45.66 1.0 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.403 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.645 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -57.97 -64.16 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.213 0.53 . . . . 0.0 111.034 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.497 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 0.6 OUTLIER -44.56 -20.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.86 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.796 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -115.16 -22.56 9.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 1.097 HD12 HD21 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -73.95 -8.02 54.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 172.01 40.76 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 111.211 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.658 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.62 140.37 13.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.447 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.658 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 90.9 Cg_exo -40.42 82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.554 2.17 . . . . 0.0 112.035 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.814 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.8 pp -78.14 159.07 76.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.245 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -90.45 -162.05 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.522 2.814 . . . . 0.0 112.892 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . 0.605 ' C ' ' H ' ' S' ' 33' ' ' VAL . 3.0 tt0 -82.31 -172.33 3.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.197 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.36 -1.58 1.45 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.814 ' CG1' HD22 ' S' ' 29' ' ' LEU . 0.9 OUTLIER -126.54 108.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.483 ' HB2' ' HG3' ' S' ' 37' ' ' LYS . 9.9 m-20 -109.72 121.57 41.75 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.637 ' HA ' HD21 ' S' ' 38' ' ' LEU . 13.2 Cg_endo -54.15 -20.6 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.876 2.384 . . . . 0.0 113.505 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' S' ' 35' ' ' PRO . 0.2 OUTLIER -99.8 22.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.483 ' HG3' ' HB2' ' S' ' 34' ' ' ASP . 17.0 ptpt -178.26 76.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.98 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 1.06 HD12 HD23 ' S' ' 75' ' ' LEU . 1.5 mt -87.5 -40.45 14.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.549 ' HA ' HD11 ' S' ' 42' ' ' LEU . 3.2 pt-20 -49.1 -22.21 0.89 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.39 -5.58 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.806 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -131.68 20.89 4.65 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.87 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -129.02 132.06 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.532 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 5.9 t -74.27 -174.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.407 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.5 p30 -61.26 -33.16 73.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.39 -54.03 16.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -63.41 -29.39 70.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.87 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -71.98 -48.51 44.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.487 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.738 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -62.41 -50.44 71.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.34 -45.46 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.822 HD11 ' HG2' ' S' ' 70' ' ' LYS . 5.8 mp -89.75 -17.95 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' S' ' 47' ' ' PHE . 23.4 m-20 60.67 18.11 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 0.0 111.447 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.503 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 4.0 tpp -130.75 -158.42 0.89 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.432 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.36 153.65 51.41 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.43 ' HD2' ' CE2' ' S' ' 47' ' ' PHE . 5.8 tpt180 -57.25 -26.35 60.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -9.32 46.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.536 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.05 -53.26 3.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.457 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -63.52 -30.78 71.85 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.84 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -52.65 -29.19 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.302 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.88 -32.85 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.601 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.629 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.96 158.93 30.57 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.629 ' HD2' HD23 ' S' ' 61' ' ' LEU . 50.3 Cg_exo -52.96 142.27 53.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.446 2.097 . . . . 0.0 111.96 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.849 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -64.26 -17.84 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.946 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -89.19 -42.12 11.84 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' S' ' 68' ' ' ASN . 0.1 OUTLIER -63.84 -38.06 89.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.478 ' CD ' ' HA ' ' S' ' 63' ' ' ALA . 3.0 pt20 -64.0 -40.84 97.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.972 HG13 ' HB3' ' S' ' 76' ' ' PHE . 44.5 t -70.24 -35.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.574 ' HB3' ' O ' ' S' ' 65' ' ' LYS . 4.9 t-20 -42.86 -62.88 0.9 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.778 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.658 HD23 ' O ' ' S' ' 51' ' ' LEU . 1.2 tp -70.03 -31.4 69.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.822 ' HG2' HD11 ' S' ' 51' ' ' LEU . 2.4 mtmp? -66.67 -31.97 72.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.809 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.859 ' HG3' HG12 ' S' ' 67' ' ' VAL . 14.2 mttt -72.03 -33.93 68.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.351 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.55 -30.68 2.36 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.136 0.493 . . . . 0.0 110.291 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -110.84 -25.06 10.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.282 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.35 49.34 1.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.849 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 1.097 HD21 HD12 ' S' ' 25' ' ' LEU . 1.8 mt -103.9 -85.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.546 0.212 . . . . 0.0 111.409 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.972 ' HB3' HG13 ' S' ' 67' ' ' VAL . 50.9 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.679 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.766 HD13 ' N ' ' S' ' 19' ' ' TYR . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.373 0 CA-C-O 120.526 0.203 . . . . 0.0 110.903 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.766 ' N ' HD13 ' S' ' 18' ' ' ILE . 3.8 m-30 -89.88 131.75 38.46 Favored Pre-proline 0 CA--C 1.531 0.23 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -37.86 110.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.359 2.706 . . . . 0.0 113.354 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.6 pp -42.67 -29.41 0.3 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.778 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.04 -46.26 82.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.051 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' S' ' 29' ' ' LEU . 1.1 m-20 -53.15 -41.24 64.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.006 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.813 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -87.6 -9.54 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.629 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.953 HD13 HD23 ' S' ' 75' ' ' LEU . 10.8 tp -111.77 38.07 2.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 97.27 47.02 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.635 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.91 136.4 10.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.68 178.451 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.635 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 57.2 Cg_exo -32.36 82.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 123.262 2.642 . . . . 0.0 113.2 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.808 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.5 pp -78.48 158.09 76.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.01 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 69.4 Cg_endo -78.29 -159.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.105 2.537 . . . . 0.0 112.141 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -94.58 -40.26 9.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.619 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.433 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.61 -25.03 6.22 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.511 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.808 ' CG1' HD22 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -84.59 112.54 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 114.93 -0.635 . . . . 0.0 110.054 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.44 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 1.3 m-20 -96.52 122.04 58.38 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.509 ' HA ' HD21 ' S' ' 38' ' ' LEU . 11.8 Cg_endo -55.49 -27.14 57.69 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.811 2.34 . . . . 0.0 113.485 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.813 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -80.92 -9.5 59.82 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.813 ' HE2' HD21 ' S' ' 36' ' ' LEU . 6.3 pttt -157.05 88.87 1.04 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.752 0.311 . . . . 0.0 111.557 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.862 HD22 ' OH ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.85 -38.85 15.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.712 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.825 ' OE2' HG23 ' S' ' 40' ' ' ILE . 3.0 pm0 -54.17 -20.06 6.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.825 HG23 ' OE2' ' S' ' 39' ' ' GLU . 2.0 pp -83.48 -25.45 7.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.862 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.4 OUTLIER -104.5 30.05 5.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -135.8 117.14 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.103 179.079 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.693 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.1 p -59.68 -177.95 0.06 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.7 p-10 -58.54 -35.48 72.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.933 0.493 . . . . 0.0 111.204 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.22 -54.56 23.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.536 ' OD2' HD11 ' S' ' 18' ' ' ILE . 9.3 t0 -63.87 -34.68 78.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -64.94 -47.2 78.51 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.569 178.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 2.3 mt-10 -59.1 -50.96 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -16.0 58.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.528 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -100.32 -61.57 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.777 ' HG ' HD13 ' S' ' 75' ' ' LEU . 3.7 mt -107.06 -2.95 20.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 7.9 m-20 64.21 13.47 7.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.317 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.655 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -123.18 -163.01 1.07 Allowed 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.38 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 30.2 p -133.61 158.24 43.7 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.079 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 11.3 ttt-85 -62.53 -29.61 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.11 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.07 -8.9 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.6 ' HG3' HD12 ' S' ' 61' ' ' LEU . 0.9 OUTLIER -95.07 -58.8 2.05 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.557 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.2 m-30 -59.12 -29.87 67.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.101 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -51.43 -26.9 8.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.212 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.63 -32.63 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.478 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.715 HD23 ' HD2' ' S' ' 62' ' ' PRO . 3.0 mt -60.77 149.55 79.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.715 ' HD2' HD23 ' S' ' 61' ' ' LEU . 2.9 Cg_endo -42.38 127.95 4.41 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 123.211 2.607 . . . . 0.0 112.171 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.743 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -63.87 -15.69 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.159 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.31 -43.09 10.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.35 -44.3 97.41 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.447 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.786 HG13 ' HE1' ' S' ' 76' ' ' PHE . 40.5 t -60.27 -42.91 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' S' ' 72' ' ' ALA . 50.0 t30 -46.03 -32.81 3.01 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.142 0.496 . . . . 0.0 110.441 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.551 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.5 mm? -84.79 -43.66 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.773 ' HG2' HD21 ' S' ' 51' ' ' LEU . 23.3 mttt -56.36 -51.77 67.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.669 0.271 . . . . 0.0 110.591 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -70.36 -30.54 67.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.768 0.318 . . . . 0.0 110.786 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' S' ' 68' ' ' ASN . . . -56.29 -31.43 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . 0.488 ' CE ' HD21 ' S' ' 25' ' ' LEU . 6.9 tttt -116.81 17.15 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.92 13.87 57.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.961 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.953 HD23 HD13 ' S' ' 25' ' ' LEU . 12.5 mt -53.91 -92.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.685 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.786 ' HE1' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.047 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.69 HG21 ' H ' ' S' ' 43' ' ' THR . 2.8 tp . . . . . 0 CA--C 1.53 0.202 0 CA-C-O 120.724 0.297 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 7.2 m-30 -89.8 125.65 60.25 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.425 ' O ' ' CD2' ' S' ' 24' ' ' LEU . 1.9 Cg_endo -43.57 133.98 7.21 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.357 2.704 . . . . 0.0 113.622 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.2 pp -49.62 -41.98 43.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.116 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.82 -45.09 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.142 0.496 . . . . 0.0 109.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.685 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -46.44 -26.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.17 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -113.81 -28.66 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.516 -179.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.788 HD13 HD23 ' S' ' 75' ' ' LEU . 17.6 tp -72.7 47.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 94.85 46.8 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.167 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.693 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.84 138.68 12.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.0 Cg_exo -34.52 79.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.895 2.397 . . . . 0.0 112.678 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.672 HD13 ' H ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -75.59 158.16 83.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 71.6 Cg_endo -78.31 -158.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.268 2.645 . . . . 0.0 112.026 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.3 -42.08 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.779 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.442 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.06 -24.21 6.37 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.564 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.965 HG22 ' CD1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -87.15 107.97 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.087 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.527 ' CB ' HD21 ' S' ' 36' ' ' LEU . 13.9 m-20 -94.76 118.29 66.81 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.37 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.33 -21.61 61.51 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.581 2.187 . . . . 0.0 113.52 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.563 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.78 -11.4 60.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.603 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CE ' HD23 ' S' ' 36' ' ' LEU . 7.6 ptpt -174.25 113.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.823 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.4 mp -88.11 -40.19 13.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.655 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -41.83 -28.07 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.438 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.447 HG12 ' O ' ' S' ' 37' ' ' LYS . 50.4 pt -71.22 -33.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.965 ' CD1' HG22 ' S' ' 33' ' ' VAL . 6.0 p90 -105.52 43.04 1.16 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.695 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.64 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.442 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.69 ' H ' HG21 ' S' ' 18' ' ' ILE . 12.8 t -65.18 156.72 30.85 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' S' ' 48' ' ' GLU . 5.0 p-10 -33.29 -35.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.262 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.31 -51.65 42.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.537 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 58.5 t0 -68.71 -34.06 74.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.043 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.695 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -69.77 -39.8 76.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.033 179.198 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' S' ' 44' ' ' ASP . 1.6 mt-10 -79.66 -28.97 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.297 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -90.29 -31.47 16.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.464 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.13 -21.43 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.751 HD21 ' HA ' ' S' ' 70' ' ' LYS . 9.4 mt -135.47 -5.24 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 1.4 m-20 61.28 13.28 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.346 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.669 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 2.9 tpp -131.52 -166.26 1.69 Allowed 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -133.55 162.17 32.63 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 17.8 ttt180 -61.65 -25.94 67.69 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.03 -9.05 50.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.13 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.09 -56.2 2.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.617 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.7 m-30 -62.93 -29.84 71.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.203 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -51.49 -29.95 18.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.28 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.61 -34.07 7.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.638 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.741 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.78 160.36 20.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.741 ' HD2' HD23 ' S' ' 61' ' ' LEU . 2.3 Cg_endo -44.06 157.78 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.066 2.51 . . . . 0.0 112.14 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.831 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.06 -26.6 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.04 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.506 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.49 -45.95 8.63 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.86 -40.95 94.84 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.333 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.473 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.98 -44.02 97.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.831 HG23 ' O ' ' S' ' 63' ' ' ALA . 88.8 t -65.03 -40.22 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.505 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 61.1 t30 -41.84 -45.83 3.77 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -79.1 -30.2 43.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.751 ' HA ' HD21 ' S' ' 51' ' ' LEU . 59.0 mttt -56.53 -50.99 70.22 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.443 ' HG2' ' HB2' ' S' ' 76' ' ' PHE . 2.0 mttm -61.91 -42.71 99.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.99 -35.24 6.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.733 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -20.18 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.37 16.36 9.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.05 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.814 ' HB3' HD13 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -107.74 -69.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.224 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.73 ' O ' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.432 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.55 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.848 0.356 . . . . 0.0 110.992 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.544 ' CD2' HG23 ' S' ' 33' ' ' VAL . 7.2 m-30 -89.91 136.77 28.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.91 109.34 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.883 2.389 . . . . 0.0 112.698 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.718 HD23 ' CG ' ' S' ' 46' ' ' ASP . 1.0 OUTLIER -45.46 -35.6 3.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.961 -179.794 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -51.18 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.644 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -55.13 -18.92 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.981 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -115.64 -25.58 7.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.854 -178.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.623 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 38.3 tp -53.95 -18.49 3.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.087 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 167.16 41.4 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.69 155.76 35.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 122.38 -0.2 . . . . 0.0 110.86 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -39.21 69.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.691 2.927 . . . . 0.0 112.986 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.825 HD22 HG11 ' S' ' 33' ' ' VAL . 2.4 pp -69.06 158.07 87.51 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.085 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 45.5 Cg_endo -65.59 -163.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.374 2.716 . . . . 0.0 113.089 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.98 -39.21 9.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.472 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.28 -27.02 7.2 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.076 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.825 HG11 HD22 ' S' ' 29' ' ' LEU . 1.2 t -79.14 110.3 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.436 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.467 ' O ' HD23 ' S' ' 38' ' ' LEU . 66.5 m-20 -94.72 134.36 25.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.705 ' HA ' HD21 ' S' ' 38' ' ' LEU . 40.3 Cg_endo -67.48 -40.9 9.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.512 2.141 . . . . 0.0 113.556 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.637 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -71.07 -9.47 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.704 0.288 . . . . 0.0 111.714 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.67 ' HB2' HD13 ' S' ' 40' ' ' ILE . 0.6 OUTLIER -145.43 87.94 1.83 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' S' ' 35' ' ' PRO . 2.5 mt -87.31 -56.86 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.739 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.631 ' HA ' HD11 ' S' ' 42' ' ' LEU . 7.2 pt-20 -50.18 -23.94 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 0.0 110.854 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.67 HD13 ' HB2' ' S' ' 37' ' ' LYS . 1.9 mp -62.29 -39.12 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.305 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.859 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -93.8 29.48 2.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.601 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -138.21 116.24 11.68 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.461 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.709 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.3 t -59.96 -166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -67.1 -39.18 86.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.684 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -63.69 -53.19 55.2 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.718 ' CG ' HD23 ' S' ' 21' ' ' LEU . 10.9 t0 -64.89 -34.42 78.36 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.709 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -63.49 -45.88 88.7 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.283 178.036 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.91 -44.78 82.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.752 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -13.79 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.02 -45.27 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.838 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.85 HD11 ' CG ' ' S' ' 70' ' ' LYS . 3.5 mt -127.85 -1.69 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' S' ' 47' ' ' PHE . 13.7 m-20 60.34 13.95 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.568 0.223 . . . . 0.0 111.205 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.603 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.68 -162.0 0.87 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.648 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.74 147.23 51.31 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.861 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -56.72 -29.26 62.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 0.0 110.019 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.02 -8.92 56.68 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.777 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 49.4 tt0 -94.22 -62.76 1.28 Allowed 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.655 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.1 m-30 -56.14 -30.59 62.37 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.051 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.57 -24.1 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.423 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.25 -33.43 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.687 0.28 . . . . 0.0 111.525 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.77 160.54 19.24 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.789 ' HD2' HD23 ' S' ' 61' ' ' LEU . 77.4 Cg_exo -49.2 159.55 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.381 2.054 . . . . 0.0 111.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.751 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.67 -18.41 29.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.13 -43.48 10.43 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -61.6 -43.81 98.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' S' ' 63' ' ' ALA . 3.9 pt20 -62.45 -37.83 87.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.751 HG23 ' O ' ' S' ' 63' ' ' ALA . 24.2 t -67.12 -40.92 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.535 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.4 t30 -47.2 -49.9 21.98 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.303 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' S' ' 69' ' ' LEU . 5.4 tp -70.98 -42.49 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.471 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.85 ' CG ' HD11 ' S' ' 51' ' ' LEU . 1.1 mtmp? -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' S' ' 67' ' ' VAL . 17.0 mtpt -65.36 -32.49 74.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.068 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.78 84.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -22.42 22.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.59 -10.25 28.14 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.568 -0.825 . . . . 0.0 114.108 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.696 ' C ' HD12 ' S' ' 38' ' ' LEU . 19.8 mt -56.11 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 118.007 0.904 . . . . 0.0 109.412 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.66 ' CD2' HG22 ' S' ' 67' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.368 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.793 HG23 ' HA ' ' S' ' 42' ' ' LEU . 2.9 mp . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 111.28 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.663 ' CD2' HG23 ' S' ' 33' ' ' VAL . 4.9 m-30 -90.63 139.63 26.45 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.7 Cg_endo -51.84 103.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.793 2.329 . . . . 0.0 112.779 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' S' ' 24' ' ' LEU . 1.0 OUTLIER -40.26 -38.67 0.82 Allowed 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.216 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.515 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -67.07 -46.36 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.04 0.448 . . . . 0.0 111.447 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.666 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -61.92 -17.51 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.829 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.872 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -114.4 -18.99 11.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.622 -178.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 33.7 tp -72.84 -9.79 59.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.04 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.42 36.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.696 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.82 154.59 34.89 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.232 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.492 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.0 Cg_endo -43.49 71.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.435 2.757 . . . . 0.0 112.525 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.747 HD22 HG11 ' S' ' 33' ' ' VAL . 3.0 pp -69.99 159.0 85.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.974 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 51.8 Cg_endo -65.84 -163.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.487 2.791 . . . . 0.0 113.124 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -100.37 -36.41 9.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.014 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.99 -26.96 6.28 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 119.618 -1.277 . . . . 0.0 109.98 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.792 HG22 ' CE2' ' S' ' 41' ' ' TYR . 1.2 t -79.09 110.38 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.376 -0.912 . . . . 0.0 109.376 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.465 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 53.8 m-20 -91.39 122.99 65.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.521 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.528 ' HA ' HD21 ' S' ' 38' ' ' LEU . 30.7 Cg_endo -63.47 -28.29 70.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.778 2.319 . . . . 0.0 113.463 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.613 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -85.33 5.16 31.82 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.47 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -167.35 90.73 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.174 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.699 HD13 ' OH ' ' S' ' 41' ' ' TYR . 2.0 mt -87.64 -59.37 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.65 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -41.07 -27.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.47 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -67.26 -32.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.872 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -96.19 28.85 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.793 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -138.13 121.96 17.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.505 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 7.6 t -63.52 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.986 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.546 ' CB ' HG22 ' S' ' 54' ' ' THR . 10.0 p-10 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.884 0.473 . . . . 0.0 110.357 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -64.55 -52.54 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.621 ' CG ' HD23 ' S' ' 21' ' ' LEU . 9.8 t0 -65.46 -33.15 75.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.681 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -65.65 -45.61 82.32 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.96 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.42 -48.8 71.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.69 -11.15 59.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.739 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.18 -61.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.781 0.324 . . . . 0.0 111.717 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.763 HD21 ' CA ' ' S' ' 70' ' ' LYS . 2.9 mt -117.08 2.01 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.35 14.04 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.468 0.175 . . . . 0.0 111.457 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.653 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -117.98 -160.52 0.79 Allowed 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.68 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.546 HG22 ' CB ' ' S' ' 44' ' ' ASP . 0.8 OUTLIER -133.82 153.7 51.54 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.69 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.079 0.466 . . . . 0.0 109.986 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.97 -9.09 54.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.742 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 4.8 tt0 -94.57 -59.73 1.87 Allowed 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.673 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.7 m-30 -58.91 -29.77 67.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.869 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.27 -29.89 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.543 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.62 -29.63 7.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.847 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.66 154.81 54.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.744 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.847 ' HD2' HD23 ' S' ' 61' ' ' LEU . 74.6 Cg_exo -47.26 147.87 5.31 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 111.815 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.713 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -74.35 -18.33 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.995 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.52 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.51 -46.2 8.47 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.47 -41.45 97.26 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 3.7 pt20 -63.19 -41.08 99.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.87 HG12 ' HE2' ' S' ' 71' ' ' LYS . 48.0 t -68.12 -39.21 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.181 177.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.518 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.7 t30 -41.68 -53.57 3.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.7 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' S' ' 69' ' ' LEU . 8.8 tp -78.54 -19.43 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.336 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.763 ' CA ' HD21 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -69.2 -49.23 58.43 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.139 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.87 ' HE2' HG12 ' S' ' 67' ' ' VAL . 31.6 mtmt -62.28 -45.5 92.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.768 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.08 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.678 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.92 -18.0 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.242 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.19 -8.83 29.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.975 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.69 ' HB3' HD12 ' S' ' 38' ' ' LEU . 0.7 OUTLIER -85.37 -69.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.635 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.626 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.449 -0.478 0 CA-C-O 120.568 0.223 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.731 ' HD2' HG13 ' S' ' 33' ' ' VAL . 4.9 m-30 -89.7 130.02 44.63 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -38.75 112.75 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.249 2.633 . . . . 0.0 113.202 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -39.6 -34.35 0.23 Allowed 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.838 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -61.69 -47.72 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.002 0.429 . . . . 0.0 110.169 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' S' ' 29' ' ' LEU . 0.7 OUTLIER -51.78 -42.47 62.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.13 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.844 ' HA ' HD23 ' S' ' 29' ' ' LEU . 0.1 OUTLIER -86.78 -22.45 25.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.469 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 1.016 HD12 HD21 ' S' ' 75' ' ' LEU . 0.2 OUTLIER -98.5 43.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.347 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 93.05 50.57 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.588 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.99 132.94 8.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 178.089 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 48.8 Cg_exo -34.53 83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.141 2.561 . . . . 0.0 112.974 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.994 HD22 HG21 ' S' ' 33' ' ' VAL . 0.4 OUTLIER -90.77 157.65 43.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.373 -178.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.508 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 72.6 Cg_endo -72.97 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.907 2.404 . . . . 0.0 111.016 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.5 -16.51 17.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.653 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -53.36 -23.49 18.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.4 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.994 HG21 HD22 ' S' ' 29' ' ' LEU . 12.1 m -86.13 108.93 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 115.456 -0.372 . . . . 0.0 110.719 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.564 ' HB3' HD21 ' S' ' 36' ' ' LEU . 5.9 m-20 -81.54 107.52 8.33 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.733 ' HA ' HD21 ' S' ' 38' ' ' LEU . 10.0 Cg_endo -52.19 -26.97 28.21 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.606 2.204 . . . . 0.0 113.456 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.651 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.15 -12.39 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.63 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.56 ' HE3' HD23 ' S' ' 36' ' ' LEU . 4.3 ptpp? -171.99 104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 109.734 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' S' ' 75' ' ' LEU . 5.9 mt -88.06 -46.61 9.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.668 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -39.7 -27.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.471 HG23 ' OE1' ' S' ' 39' ' ' GLU . 45.5 pt -67.25 -29.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.819 ' OH ' HD22 ' S' ' 38' ' ' LEU . 2.6 p90 -103.85 30.65 4.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.702 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.27 115.55 14.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.739 178.397 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.8 p -60.52 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.314 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.479 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 4.6 p-10 -62.7 -32.9 74.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.3 -50.45 60.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 8.5 t0 -67.61 -34.03 76.18 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.702 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -66.63 -43.38 84.87 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.118 178.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.13 -39.58 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.921 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -22.15 18.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.12 -14.12 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.707 HD11 ' HG3' ' S' ' 70' ' ' LYS . 11.6 mt -149.76 -6.86 0.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.55 13.33 7.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.571 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 5.6 tpp -126.73 -159.17 0.91 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.563 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.1 p -133.57 156.7 47.35 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 4.8 ttm180 -60.93 -27.12 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.86 -9.24 54.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.461 ' HG3' HD12 ' S' ' 61' ' ' LEU . 0.9 OUTLIER -95.13 -57.02 2.54 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.68 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.58 -26.04 67.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.111 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.1 OUTLIER -53.85 -31.2 48.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.379 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.24 -26.84 7.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.753 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.58 156.1 45.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.658 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.753 ' HD2' HD23 ' S' ' 61' ' ' LEU . 3.6 Cg_exo -40.27 159.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.251 2.634 . . . . 0.0 112.203 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.78 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.22 -26.36 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.896 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.49 -45.32 9.03 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -41.36 97.27 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.4 pt20 -62.93 -41.47 99.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.78 HG23 ' O ' ' S' ' 63' ' ' ALA . 53.1 t -67.06 -41.03 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.153 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.541 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.2 t30 -41.34 -49.37 3.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.131 0.491 . . . . 0.0 111.227 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.513 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 4.6 mm? -72.3 -34.21 67.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.421 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.813 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.2 mtpt -63.22 -53.52 51.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.59 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 24.5 mttt -57.43 -34.76 69.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.269 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . 0.592 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.0 OUTLIER -107.22 -18.67 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.638 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . 0.41 ' O ' HD23 ' S' ' 75' ' ' LEU . . . 111.25 35.01 2.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.122 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 1.016 HD21 HD12 ' S' ' 25' ' ' LEU . 0.1 OUTLIER -139.22 -68.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 109.996 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.813 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.207 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' S' ' 42' ' ' LEU . 30.3 mm . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 121.073 0.463 . . . . 0.0 111.766 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.641 ' CD2' HG23 ' S' ' 33' ' ' VAL . 2.6 m-30 -90.09 148.04 38.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.475 ' O ' HD23 ' S' ' 24' ' ' LEU . 10.2 Cg_endo -53.41 110.24 0.46 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.26 -178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' S' ' 46' ' ' ASP . 0.2 OUTLIER -41.21 -41.64 1.89 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.14 85.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 110.271 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.808 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 10.1 m-20 -60.25 -43.05 96.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.084 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.91 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -83.73 -16.1 46.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 1.079 HD13 HD23 ' S' ' 75' ' ' LEU . 17.5 tp -85.21 -9.29 57.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 161.58 43.21 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.808 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.9 143.89 16.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.697 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.702 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.6 Cg_exo -41.22 79.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.473 2.115 . . . . 0.0 112.047 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -75.94 159.15 81.44 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.9 -179.181 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.1 -153.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.239 2.626 . . . . 0.0 112.805 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -44.92 5.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.093 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.426 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -47.68 -28.15 5.01 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.841 -1.171 . . . . 0.0 110.222 178.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.97 HG22 ' CE1' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -79.14 108.8 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 114.594 -0.803 . . . . 0.0 109.428 178.137 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.438 ' CB ' ' HG2' ' S' ' 37' ' ' LYS . 3.1 m-20 -76.95 133.38 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -74.94 -0.32 9.8 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.517 2.144 . . . . 0.0 113.494 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.744 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -130.31 13.9 5.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.441 ' HD3' HD21 ' S' ' 36' ' ' LEU . 22.1 pttt -167.96 86.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.052 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.98 HD22 ' OH ' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -87.52 -39.84 14.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.622 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.732 ' HA ' HD11 ' S' ' 42' ' ' LEU . 2.1 pt-20 -45.14 -25.71 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.612 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -79.61 -21.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.98 ' OH ' HD22 ' S' ' 38' ' ' LEU . 7.7 p90 -115.86 33.47 5.48 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.0 115.86 11.52 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.774 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.642 HG23 HG13 ' S' ' 18' ' ' ILE . 0.7 OUTLIER -60.04 157.95 11.95 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.67 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -37.59 -32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.47 0.708 . . . . 0.0 112.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.64 -52.91 18.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.479 ' HA ' HD22 ' S' ' 21' ' ' LEU . 15.1 t0 -68.01 -27.03 66.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.793 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.721 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -75.22 -43.62 50.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.205 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.4 mt-10 -69.92 -45.69 66.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.712 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -20.33 57.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.35 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.814 HD21 ' CG ' ' S' ' 70' ' ' LYS . 4.9 mt -101.11 -6.83 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 18.5 m-20 65.95 13.34 9.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.602 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -133.02 -177.89 4.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.04 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.51 HG22 ' HB2' ' S' ' 57' ' ' GLU . 2.7 t -132.64 162.38 31.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.492 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.1 OUTLIER -55.49 -24.2 30.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.12 -9.19 43.44 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.736 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' S' ' 54' ' ' THR . 0.0 OUTLIER -95.54 -54.33 3.41 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.688 0.756 . . . . 0.0 109.108 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.6 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.2 m-30 -66.82 -34.35 77.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.022 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -41.02 -32.21 0.23 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.92 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.68 -33.9 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.864 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.78 140.14 93.26 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.84 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.864 ' HD2' HD23 ' S' ' 61' ' ' LEU . 13.0 Cg_exo -37.21 136.95 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.128 2.552 . . . . 0.0 112.537 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.403 ' HA ' ' CD ' ' S' ' 66' ' ' GLN . . . -62.03 -17.48 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.097 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.09 -40.54 12.21 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.591 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -44.61 96.34 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.523 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.459 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.4 pt20 -60.48 -42.16 95.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.843 HG22 ' CZ ' ' S' ' 76' ' ' PHE . 2.6 t -64.13 -41.09 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.68 ' O ' ' HB2' ' S' ' 72' ' ' ALA . 58.8 t30 -42.92 -40.65 3.04 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.6 mm? -80.57 -50.2 10.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.787 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.814 ' CG ' HD21 ' S' ' 51' ' ' LEU . 11.4 mttt -50.28 -59.85 3.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.429 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -68.21 -30.71 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -179.454 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' S' ' 68' ' ' ASN . . . -59.26 -32.88 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.967 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.95 5.0 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.265 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.15 66.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.336 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 1.079 HD23 HD13 ' S' ' 25' ' ' LEU . 12.4 mt -78.35 -87.44 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.843 ' CZ ' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.257 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.715 HD13 ' OG1' ' S' ' 43' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.455 -0.182 0 CA-C-O 120.767 0.318 . . . . 0.0 110.873 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 3.0 m-30 -89.44 138.23 28.59 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.415 ' O ' HD23 ' S' ' 24' ' ' LEU . 10.6 Cg_endo -54.18 112.94 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.957 2.438 . . . . 0.0 113.145 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.518 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -42.28 -41.96 2.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.363 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.45 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.893 0.378 . . . . 0.0 111.399 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.551 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -61.75 -36.02 79.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.163 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.871 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -88.2 -19.5 26.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.11 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.789 HD13 ' CD2' ' S' ' 75' ' ' LEU . 17.3 tp -84.0 -6.16 59.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 174.22 33.7 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.551 ' HG2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.64 150.66 28.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.398 179.116 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.483 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 9.4 Cg_endo -51.77 78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.872 2.381 . . . . 0.0 111.831 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 1.07 HD22 HG21 ' S' ' 33' ' ' VAL . 0.2 OUTLIER -75.58 158.95 82.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.197 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.7 Cg_endo -60.4 -161.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.873 2.382 . . . . 0.0 111.47 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -101.22 -14.36 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.42 -23.17 12.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.105 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 1.07 HG21 HD22 ' S' ' 29' ' ' LEU . 31.0 m -89.32 127.94 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.927 -0.636 . . . . 0.0 110.779 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -99.54 108.37 50.35 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 1.3 Cg_endo -43.89 -36.17 7.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.714 2.276 . . . . 0.0 113.36 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.768 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -73.05 -8.82 57.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.768 ' HE2' HD21 ' S' ' 36' ' ' LEU . 0.4 OUTLIER -157.53 101.54 1.85 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.993 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.894 HD22 ' OH ' ' S' ' 41' ' ' TYR . 10.2 mt -87.84 -55.4 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.885 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.749 ' H ' ' HE3' ' S' ' 70' ' ' LYS . 18.4 pt-20 -38.95 -28.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.665 HG21 ' HD3' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -64.06 -33.11 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.894 ' OH ' HD22 ' S' ' 38' ' ' LEU . 34.6 p90 -103.61 36.44 2.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.718 HD21 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.6 126.32 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.715 178.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.715 ' OG1' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -61.04 -172.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.076 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.472 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.6 p30 -64.58 -36.82 85.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.58 -52.87 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.473 ' HA ' HD22 ' S' ' 21' ' ' LEU . 21.0 t0 -63.73 -28.92 70.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.705 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -69.49 -49.91 50.3 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.202 178.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 9.9 mt-10 -58.72 -41.3 86.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.873 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -82.88 -11.13 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.402 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' S' ' 46' ' ' ASP . . . -93.68 -61.17 1.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.819 0.342 . . . . 0.0 111.448 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.827 HD22 ' CE2' ' S' ' 58' ' ' TYR . 4.7 mp -124.05 0.09 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 13.0 m-20 69.12 13.23 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.736 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.524 ' HG2' ' CD1' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -115.02 -159.81 0.72 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.608 179.346 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 6.6 p -133.07 173.7 11.14 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.975 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.2 ttt180 -76.75 -32.94 58.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.036 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -89.05 -8.55 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.818 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.448 ' CG ' HD12 ' S' ' 61' ' ' LEU . 0.6 OUTLIER -93.88 -55.8 3.1 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.77 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.827 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.3 m-30 -63.4 -30.29 71.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.301 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.5 OUTLIER -53.87 -26.68 25.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.263 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.73 -32.57 5.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 111.355 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.448 HD12 ' CG ' ' S' ' 57' ' ' GLU . 19.0 mt -60.75 161.72 14.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 1.1 Cg_endo -45.99 151.49 1.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.02 2.48 . . . . 0.0 112.269 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.756 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -85.59 -18.15 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.89 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.506 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.25 -42.24 11.11 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -44.94 96.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.467 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.14 -35.69 81.12 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.946 HG22 ' CE1' ' S' ' 76' ' ' PHE . 6.2 t -66.35 -42.12 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.498 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 39.2 t30 -46.43 -32.52 3.32 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.441 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.569 ' CB ' HD23 ' S' ' 51' ' ' LEU . 2.8 mm? -83.71 -46.82 11.85 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.798 ' CD ' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -58.65 -53.57 56.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -60.39 -40.14 89.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.29 81.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -89.8 -25.21 21.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.685 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.87 1.32 30.36 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.385 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' S' ' 25' ' ' LEU . 20.3 mt -60.62 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 117.308 0.554 . . . . 0.0 109.904 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.946 ' CE1' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.375 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.814 ' HB ' HG23 ' S' ' 43' ' ' THR . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 CA-C-O 120.51 0.195 . . . . 0.0 110.897 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.59 ' HD2' HG23 ' S' ' 33' ' ' VAL . 7.7 m-30 -89.71 124.93 62.73 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -45.06 137.94 9.44 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.266 2.644 . . . . 0.0 113.614 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -48.78 -47.03 42.3 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.749 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.66 73.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.043 0.449 . . . . 0.0 110.864 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.824 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -47.58 -23.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.331 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.678 ' HB2' HD23 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -115.36 -28.95 6.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.011 0.434 . . . . 0.0 111.512 -179.331 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.672 HD13 HD23 ' S' ' 75' ' ' LEU . 18.8 tp -70.42 -26.29 63.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 167.02 45.8 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.824 ' HD2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 140.16 13.68 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 119.605 -0.236 . . . . 0.0 110.408 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.617 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 88.5 Cg_exo -19.53 78.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.887 3.058 . . . . 0.0 113.272 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.686 HD12 ' O ' ' S' ' 30' ' ' PRO . 2.1 pp -73.19 148.75 88.97 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.694 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.686 ' O ' HD12 ' S' ' 29' ' ' LEU . 39.0 Cg_endo -85.52 -158.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.627 2.885 . . . . 0.0 112.261 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.36 -37.02 10.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.64 -22.93 12.54 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 119.526 -1.321 . . . . 0.0 110.19 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.765 HG22 ' CD1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -86.97 108.3 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.292 178.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.56 ' HB2' HD21 ' S' ' 36' ' ' LEU . 16.1 m-20 -92.53 121.26 66.61 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.334 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.423 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 28.6 Cg_endo -62.87 -20.91 72.55 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.641 2.227 . . . . 0.0 114.319 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.597 HD22 ' N ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -63.17 -15.68 57.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.534 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.528 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -176.85 121.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.799 HD13 ' CA ' ' S' ' 75' ' ' LEU . 1.8 mp -87.71 -41.22 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.678 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.9 OUTLIER -39.91 -27.95 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.528 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.6 pt -67.54 -30.8 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.797 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 3.9 p90 -111.45 41.13 1.94 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -138.85 115.85 10.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.294 177.62 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.814 HG23 ' HB ' ' S' ' 18' ' ' ILE . 13.3 p -60.25 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.181 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.429 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.3 p-10 -64.25 -36.56 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.42 -47.88 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 21.5 t0 -66.49 -31.88 72.88 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.66 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -69.24 -46.43 67.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.746 177.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.4 -37.39 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.02 -25.68 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -51.55 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.817 HD21 ' HG3' ' S' ' 70' ' ' LYS . 1.4 mp -141.51 8.99 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 64.59 14.8 9.25 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.586 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -113.45 -161.35 0.76 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.94 152.22 51.77 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.512 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 6.9 tpt180 -58.63 -24.41 61.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.704 -0.398 . . . . 0.0 109.984 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.31 -9.49 50.31 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.352 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.664 ' HG3' HD12 ' S' ' 61' ' ' LEU . 3.9 tp10 -95.18 -55.82 2.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.784 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.27 -29.16 69.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.005 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.9 m-20 -55.23 -24.0 25.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.163 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.78 -31.34 6.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.617 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.664 HD12 ' HG3' ' S' ' 57' ' ' GLU . 0.5 OUTLIER -60.76 167.01 3.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.508 ' CD ' HD23 ' S' ' 61' ' ' LEU . 50.9 Cg_exo -52.69 162.6 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.394 2.063 . . . . 0.0 111.924 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.846 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.56 -24.42 24.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.517 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -43.51 10.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.441 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -60.75 -40.77 93.68 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.543 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.81 -44.87 95.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.908 HG13 ' OXT' ' S' ' 76' ' ' PHE . 74.6 t -63.73 -38.33 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.54 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -41.79 -56.84 2.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.879 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' S' ' 51' ' ' LEU . 3.5 tp -72.42 -21.11 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.389 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.874 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -66.96 -54.74 18.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 110.204 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.431 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 6.4 mttt -59.28 -33.22 70.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.268 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.91 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.514 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -14.47 34.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.43 -10.99 28.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.625 -0.797 . . . . 0.0 113.586 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.799 ' CA ' HD13 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -81.26 -71.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.908 ' OXT' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.213 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.5 mp . . . . . 0 N--CA 1.451 -0.379 0 CA-C-O 120.94 0.4 . . . . 0.0 111.312 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.627 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 10.3 m-85 -97.58 136.64 21.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.865 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.4 Cg_endo -48.1 119.26 3.78 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.845 2.364 . . . . 0.0 112.549 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.662 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -46.83 -41.01 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.113 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.23 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.303 0.573 . . . . 0.0 110.813 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.4 OUTLIER -49.2 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.38 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.859 HD13 ' OH ' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -115.09 -25.12 8.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.861 0.363 . . . . 0.0 111.729 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 18.5 tp -68.34 -9.5 48.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.12 42.2 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.881 0.372 . . . . 0.0 111.269 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.72 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.7 tmt_? -150.63 143.45 16.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.72 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 91.7 Cg_exo -42.13 83.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.425 2.083 . . . . 0.0 112.04 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.861 HD13 ' CG1' ' S' ' 33' ' ' VAL . 3.1 pp -79.43 155.76 76.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.589 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.627 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 65.8 Cg_endo -69.23 -162.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.773 2.982 . . . . 0.0 113.262 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -97.36 -37.79 9.89 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.456 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.76 -28.08 5.09 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.861 ' CG1' HD13 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -75.48 109.11 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.094 177.504 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' S' ' 37' ' ' LYS . 15.0 m-20 -86.76 141.99 34.17 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.809 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.78 -43.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.73 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.608 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.3 OUTLIER -78.63 -2.75 40.56 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.82 0.343 . . . . 0.0 111.607 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.608 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -158.47 87.86 0.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.712 HD13 ' CB ' ' S' ' 75' ' ' LEU . 1.9 mp -87.3 -53.05 5.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.825 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' S' ' 51' ' ' LEU . 0.5 OUTLIER -41.12 -29.65 0.13 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.187 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.558 ' C ' HD13 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -67.77 -29.66 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.859 ' OH ' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -86.17 9.75 16.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.822 HD23 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -127.37 127.62 44.51 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.247 -179.167 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.702 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -64.09 -170.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 178.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.518 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 32.0 p-10 -67.43 -36.18 80.72 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.877 0.471 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.92 -53.42 46.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 7.3 t0 -64.86 -35.07 79.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.702 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.26 -46.07 90.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.269 177.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.7 mt-10 -56.74 -51.67 67.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.729 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -79.83 -12.41 59.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 -60.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.813 HD11 ' HG3' ' S' ' 70' ' ' LYS . 5.6 mt -110.9 -6.68 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 14.8 m-20 67.94 13.45 9.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.58 0.229 . . . . 0.0 111.076 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.662 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.26 -160.14 0.91 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.48 155.11 50.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.586 HH22 HD11 ' S' ' 18' ' ' ILE . 28.5 ttm180 -59.39 -26.64 65.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.06 -9.08 44.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.242 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.7 ' OE2' HD11 ' S' ' 61' ' ' LEU . 0.0 OUTLIER -92.0 -52.66 4.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.73 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -67.44 -30.48 70.23 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.129 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.92 -31.81 18.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.457 179.793 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.83 -32.05 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.595 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.7 HD11 ' OE2' ' S' ' 57' ' ' GLU . 18.6 mt -60.78 162.13 13.02 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.433 ' HG2' ' CB ' ' S' ' 65' ' ' LYS . 3.7 Cg_endo -48.27 159.22 0.77 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.943 2.428 . . . . 0.0 111.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.684 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.92 -22.46 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.515 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.21 -46.15 8.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -62.01 -42.21 98.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.524 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.68 -39.14 93.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.684 HG23 ' O ' ' S' ' 63' ' ' ALA . 28.3 t -69.63 -39.94 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.511 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 59.0 t30 -41.13 -52.98 3.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.731 HD23 ' O ' ' S' ' 51' ' ' LEU . 7.6 tp -75.55 -26.1 57.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.266 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.813 ' HG3' HD11 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.782 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 83.5 mttt -55.72 -48.19 75.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.605 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.84 -25.99 8.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.406 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . 0.538 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.0 OUTLIER -89.79 -19.62 24.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -6.81 28.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.712 ' CB ' HD13 ' S' ' 38' ' ' LEU . 0.7 OUTLIER -90.81 -68.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.723 0.297 . . . . 0.0 110.277 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.692 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.493 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.644 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.452 -0.327 0 CA-C-O 120.85 0.357 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.603 ' CD2' HG23 ' S' ' 33' ' ' VAL . 4.6 m-30 -89.94 141.62 28.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.38 108.03 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.148 2.565 . . . . 0.0 113.049 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.1 pp -38.31 -35.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -58.87 -47.22 85.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.61 ' O ' HD12 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -53.98 -44.39 70.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.09 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.655 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -84.48 -15.1 47.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.334 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.889 HD13 HD23 ' S' ' 75' ' ' LEU . 11.4 tp -105.33 38.83 1.86 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 96.46 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.568 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.87 134.5 9.08 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 178.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.568 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.5 Cg_exo -30.77 85.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.237 2.625 . . . . 0.0 112.925 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.61 HD12 ' O ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -81.44 159.13 67.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.116 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 62.9 Cg_endo -80.03 -159.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.053 2.502 . . . . 0.0 111.839 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -92.86 -40.98 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.698 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.481 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.18 -26.68 6.6 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.44 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.857 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -80.65 108.79 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 114.893 -0.654 . . . . 0.0 109.462 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.2 m-20 -84.92 135.48 39.82 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -75.23 -1.28 11.07 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.524 2.149 . . . . 0.0 113.642 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.678 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -121.11 16.13 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.644 ' HB2' HD12 ' S' ' 40' ' ' ILE . 19.5 pttt -172.02 82.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.133 0.492 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 1.017 HD22 ' OH ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.04 -49.29 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.535 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.753 ' HA ' HD11 ' S' ' 42' ' ' LEU . 2.9 pt-20 -45.01 -28.23 0.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.3 0.572 . . . . 0.0 110.188 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -63.57 -43.91 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.231 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 1.017 ' OH ' HD22 ' S' ' 38' ' ' LEU . 3.9 p90 -100.33 36.48 1.87 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.753 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.4 OUTLIER -138.26 129.18 26.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.605 178.41 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.712 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -65.62 -174.08 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.847 178.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.494 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.1 p-10 -63.89 -34.95 79.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.97 -53.97 26.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.44 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 51.1 t0 -64.07 -32.65 74.29 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.751 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -65.53 -48.24 73.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.302 178.075 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.52 -36.98 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -16.12 36.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.661 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -83.52 -61.22 1.89 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.711 0.291 . . . . 0.0 111.338 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.926 HD21 ' CD ' ' S' ' 70' ' ' LYS . 1.6 mp -132.49 14.69 4.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.388 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.41 13.91 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.473 0.178 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.625 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -114.9 -167.18 1.19 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -133.47 160.97 35.83 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.446 ' CA ' ' CE2' ' S' ' 47' ' ' PHE . 9.1 ttt180 -60.8 -26.62 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.25 -9.03 43.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.44 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -48.87 6.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.75 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.4 m-30 -72.68 -29.67 63.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.736 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -48.8 -22.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.651 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.74 -37.08 5.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 111.252 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.577 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.97 162.17 13.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.577 ' HD2' HD23 ' S' ' 61' ' ' LEU . 49.0 Cg_exo -54.3 164.15 3.01 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.191 1.927 . . . . 0.0 111.697 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.934 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -84.28 -24.14 30.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.865 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.44 -41.04 11.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.509 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -58.79 -40.32 83.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.465 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.1 pt20 -64.79 -42.34 95.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 1.009 HG22 ' CE2' ' S' ' 76' ' ' PHE . 62.5 t -62.46 -40.23 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' S' ' 64' ' ' TRP . 51.1 t30 -40.85 -55.04 2.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.106 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.789 HD23 ' O ' ' S' ' 51' ' ' LEU . 6.4 tp -69.46 -25.62 64.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.926 ' CD ' HD21 ' S' ' 51' ' ' LEU . 2.3 tptm -61.06 -68.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.709 ' HE3' HG12 ' S' ' 67' ' ' VAL . 28.1 mttt -47.24 -34.22 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.525 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.41 65.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -99.22 -25.56 14.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.686 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.35 16.89 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.614 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.889 HD23 HD13 ' S' ' 25' ' ' LEU . 1.0 OUTLIER -79.42 -81.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.288 0.544 . . . . 0.0 110.506 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 1.009 ' CE2' HG22 ' S' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.265 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.529 HG12 ' HB ' ' S' ' 43' ' ' THR . 1.5 mp . . . . . 0 N--CA 1.451 -0.417 0 CA-C-O 120.81 0.338 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.612 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 2.9 m-85 -97.82 138.56 21.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.013 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.449 ' O ' HD23 ' S' ' 24' ' ' LEU . 9.7 Cg_endo -51.94 115.06 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.058 2.505 . . . . 0.0 113.268 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.559 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.3 OUTLIER -42.29 -41.06 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.417 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -52.35 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 0.0 111.511 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.655 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -61.32 -31.34 71.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.918 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -90.93 -22.89 20.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.842 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.613 HD11 ' O ' ' S' ' 73' ' ' LYS . 22.3 tp -69.35 -18.08 63.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 45.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.732 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.87 154.23 34.32 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.961 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.517 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.3 Cg_endo -43.67 71.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.225 2.617 . . . . 0.0 111.882 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.881 HD13 ' CG1' ' S' ' 33' ' ' VAL . 2.2 pp -71.56 153.79 93.48 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.303 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.612 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.5 Cg_endo -59.92 -163.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.96 3.107 . . . . 0.0 113.267 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' S' ' 33' ' ' VAL . 3.5 tt0 -101.08 -37.81 8.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.64 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.41 -27.41 4.1 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.892 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -74.95 117.55 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.146 -1.027 . . . . 0.0 109.139 177.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.451 ' HB3' HD21 ' S' ' 36' ' ' LEU . 0.6 OUTLIER -95.07 128.57 38.45 Favored Pre-proline 0 C--N 1.324 -0.517 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.853 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 61.1 Cg_endo -73.0 -21.53 20.63 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.507 2.138 . . . . 0.0 113.287 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.641 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -75.37 -14.41 60.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 111.659 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.513 ' CD ' HD23 ' S' ' 36' ' ' LEU . 0.3 OUTLIER -173.75 114.41 0.21 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' S' ' 41' ' ' TYR . 3.2 mt -87.42 -38.22 16.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.729 ' HA ' HD21 ' S' ' 42' ' ' LEU . 2.5 pt-20 -43.49 -25.02 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.437 ' CG2' ' HG3' ' S' ' 37' ' ' LYS . 2.0 pp -69.92 -27.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.918 ' HE1' HD13 ' S' ' 24' ' ' LEU . 22.8 p90 -109.24 39.71 2.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.742 HD13 ' HA ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.61 115.52 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.529 ' HB ' HG12 ' S' ' 18' ' ' ILE . 1.8 t -60.68 154.8 20.54 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' S' ' 48' ' ' GLU . 4.0 p-10 -33.9 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.698 0.799 . . . . 0.0 112.295 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -66.99 -52.99 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' S' ' 43' ' ' THR . 58.6 t0 -68.59 -33.55 74.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.777 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.742 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -66.21 -42.34 88.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.544 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 44' ' ' ASP . 4.6 mt-10 -69.46 -35.97 76.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -84.71 -14.26 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.771 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -90.36 -61.21 1.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.388 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.922 HD22 ' CE2' ' S' ' 58' ' ' TYR . 3.5 mp -125.81 5.55 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.441 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.97 13.47 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.465 0.174 . . . . 0.0 110.676 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' S' ' 58' ' ' TYR . 3.4 tpp -112.67 -169.25 1.44 Allowed 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 166.6 22.05 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 21.9 ttt180 -65.8 -31.43 72.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.347 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -8.87 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.901 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' S' ' 53' ' ' MET . 1.2 tp10 -95.3 -57.64 2.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.922 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.2 m-30 -62.04 -28.88 69.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -50.68 -25.81 4.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.306 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.93 -33.37 5.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.707 0.289 . . . . 0.0 111.623 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 9.2 mt -60.81 165.06 6.38 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 62.4 Cg_exo -50.17 157.55 2.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.174 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.814 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -86.15 -19.35 30.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.521 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.9 -46.07 8.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -58.19 -42.71 86.71 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.501 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -64.16 -44.17 92.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.814 HG23 ' O ' ' S' ' 63' ' ' ALA . 50.6 t -60.88 -39.17 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.521 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.7 t30 -43.56 -57.57 3.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.451 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.718 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.893 ' CG ' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -75.43 -49.1 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' S' ' 76' ' ' PHE . 54.9 mttt -61.53 -39.99 93.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.59 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -32.0 59.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.407 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . 0.613 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.1 OUTLIER -90.0 -23.2 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.33 17.74 8.58 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.762 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.771 HD11 ' HB1' ' S' ' 50' ' ' ALA . 0.2 OUTLIER -107.56 -69.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.118 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.797 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.8 HG21 ' N ' ' S' ' 43' ' ' THR . 2.5 pt . . . . . 0 CA--C 1.52 -0.194 0 CA-C-O 120.975 0.416 . . . . 0.0 111.496 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 7.3 m-30 -89.85 139.66 27.68 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' S' ' 23' ' ' ASP . 1.7 Cg_endo -45.68 100.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.925 2.417 . . . . 0.0 113.39 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.624 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.7 OUTLIER -37.1 -32.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 110.878 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.615 ' HA ' ' CB ' ' S' ' 27' ' ' ARG . 4.1 m-20 -70.03 -22.81 63.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.829 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -95.42 -11.84 26.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.241 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.827 HD13 ' CD2' ' S' ' 75' ' ' LEU . 12.3 tp -99.38 2.67 45.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 164.51 44.34 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.498 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.642 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.2 tmt_? -150.77 145.39 18.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.037 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.642 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 19.0 Cg_endo -57.53 64.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.634 2.222 . . . . 0.0 111.851 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.795 HD13 ' HA ' ' S' ' 24' ' ' LEU . 1.1 pt? -65.09 159.22 66.75 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.612 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 63.2 Cg_endo -71.35 -161.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.042 2.495 . . . . 0.0 112.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.88 -11.11 20.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.957 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.495 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.72 -24.97 13.98 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.048 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.779 HG21 ' CD1' ' S' ' 29' ' ' LEU . 17.0 m -82.44 108.94 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.875 -0.662 . . . . 0.0 110.274 178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.479 ' HB2' ' HG2' ' S' ' 37' ' ' LYS . 3.0 m-20 -81.91 105.41 4.44 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.455 ' HA ' HD21 ' S' ' 38' ' ' LEU . 2.2 Cg_endo -42.52 -47.05 7.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.034 2.489 . . . . 0.0 113.752 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.674 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -63.04 -15.59 57.02 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.331 -179.574 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.875 ' HG3' HD13 ' S' ' 40' ' ' ILE . 27.6 pttt -149.57 100.09 2.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.507 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.748 HD13 ' OH ' ' S' ' 41' ' ' TYR . 1.1 mt -87.12 -46.67 9.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.496 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.713 ' HA ' HD11 ' S' ' 42' ' ' LEU . 3.6 pt-20 -42.05 -24.95 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.875 HD13 ' HG3' ' S' ' 37' ' ' LYS . 18.2 pt -60.13 -38.04 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.829 ' HE1' HD13 ' S' ' 24' ' ' LEU . 38.6 p90 -103.61 36.54 2.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.713 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.61 124.17 19.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.8 ' N ' HG21 ' S' ' 18' ' ' ILE . 7.9 t -66.93 -168.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.06 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.436 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -66.5 -37.8 85.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.94 -52.53 55.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.456 ' OD2' ' HB3' ' S' ' 42' ' ' LEU . 56.7 t0 -64.84 -35.37 80.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.669 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -64.09 -45.92 86.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.084 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 6.0 mt-10 -60.34 -35.84 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.812 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -24.31 30.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' S' ' 51' ' ' LEU . . . -77.37 -60.94 2.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.992 HD22 ' CE2' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -133.29 8.11 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.436 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.489 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 14.7 m-20 66.62 15.11 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.589 0.233 . . . . 0.0 110.842 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -105.52 -166.23 1.19 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.675 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 158.1 44.04 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.623 0.249 . . . . 0.0 110.805 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 7.5 ttm180 -61.26 -29.76 70.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.029 0.442 . . . . 0.0 109.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -88.99 -8.39 54.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.787 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.85 -54.79 3.48 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.679 0.752 . . . . 0.0 109.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.992 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.4 m-30 -68.25 -26.63 65.78 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.859 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.2 OUTLIER -48.55 -27.22 2.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.532 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.62 -28.92 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.62 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.747 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.69 151.63 70.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.799 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.747 ' HD2' HD23 ' S' ' 61' ' ' LEU . 4.3 Cg_exo -41.33 142.8 0.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.275 2.65 . . . . 0.0 112.214 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.906 ' O ' HG13 ' S' ' 67' ' ' VAL . . . -74.33 -19.14 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.773 ' O ' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER -90.39 -42.78 10.72 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -63.19 -37.77 88.55 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.693 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -65.23 -42.03 93.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.968 HG12 ' CZ ' ' S' ' 76' ' ' PHE . 3.2 m -69.46 -37.75 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.59 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 66.6 t30 -42.24 -41.54 2.77 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.853 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.657 ' HB3' ' HB3' ' S' ' 51' ' ' LEU . 0.8 OUTLIER -79.52 -45.61 18.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.844 ' HB3' ' H ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -68.36 -32.96 73.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.792 0.33 . . . . 0.0 110.457 -179.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.429 ' HD2' HG23 ' S' ' 67' ' ' VAL . 2.3 mtpt -64.58 -39.95 94.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.948 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.11 70.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.484 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -89.9 -25.29 21.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.41 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.43 24.16 7.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.533 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.827 ' CD2' HD13 ' S' ' 25' ' ' LEU . 4.2 mt -94.39 -82.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.968 ' CZ ' HG12 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.617 HG23 ' O ' ' S' ' 41' ' ' TYR . 5.1 mp . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 121.179 0.514 . . . . 0.0 111.856 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 8.0 m-30 -92.75 134.41 27.71 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -49.0 115.51 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.9 2.4 . . . . 0.0 113.353 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.578 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -40.84 -32.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.074 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.58 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.144 0.497 . . . . 0.0 110.558 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.687 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 2.6 m-20 -61.14 -24.59 66.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.184 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.889 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -102.32 -9.86 20.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.638 HD13 HD21 ' S' ' 75' ' ' LEU . 11.6 tp -100.66 4.85 43.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 162.49 42.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.78 0.324 . . . . 0.0 111.485 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.687 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.88 141.55 14.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.665 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 10.4 Cg_endo -52.71 71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.694 2.263 . . . . 0.0 112.078 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 1.075 HD12 HG21 ' S' ' 33' ' ' VAL . 0.6 OUTLIER -71.86 159.36 85.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.48 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.54 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 90.7 Cg_endo -77.41 -160.86 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.9 2.4 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.18 -6.97 22.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.933 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.461 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.87 -25.96 17.2 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 1.075 HG21 HD12 ' S' ' 29' ' ' LEU . 15.2 m -76.29 157.45 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.284 -0.958 . . . . 0.0 109.784 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.52 ' HB3' HD22 ' S' ' 36' ' ' LEU . 1.4 m-20 -125.22 108.65 27.2 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.455 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 23.0 Cg_endo -60.42 -13.74 26.55 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.762 2.308 . . . . 0.0 114.393 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.586 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.5 OUTLIER -77.89 -8.29 57.87 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 111.733 -179.588 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.586 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER 171.49 89.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' S' ' 75' ' ' LEU . 8.1 mt -56.69 -30.32 63.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.704 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -39.59 -26.96 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -70.47 -36.34 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.889 ' CE1' HD13 ' S' ' 24' ' ' LEU . 52.8 p90 -97.53 35.41 1.65 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.3 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.58 ' H ' HG21 ' S' ' 18' ' ' ILE . 5.1 t -63.04 -170.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.496 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 21.4 p-10 -65.75 -32.74 74.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.35 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.64 -49.02 67.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 37.2 t0 -67.74 -38.56 83.67 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.705 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.6 OUTLIER -62.77 -42.16 99.56 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.212 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.34 -46.06 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.344 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.0 -16.59 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.01 -23.85 14.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' S' ' 58' ' ' TYR . 12.7 mt -141.57 -4.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' S' ' 47' ' ' PHE . 5.3 m-20 62.3 13.59 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.628 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -127.4 -159.28 0.93 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.543 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 1.1 p -133.74 155.91 48.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.816 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 1.0 OUTLIER -59.63 -27.73 66.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.95 -9.26 54.14 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.652 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.514 ' HG3' HD12 ' S' ' 61' ' ' LEU . 1.4 tt0 -95.14 -57.86 2.31 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.746 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -60.43 -28.79 68.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.25 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -54.44 -25.51 25.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.281 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.58 -29.3 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.76 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.578 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.3 OUTLIER -60.86 168.6 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.719 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.578 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.38 160.23 3.71 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.065 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.824 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.07 -21.03 24.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.663 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.48 -43.59 10.15 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.567 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.4 OUTLIER -60.84 -42.86 98.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.737 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.591 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.97 -43.26 99.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.824 HG23 ' O ' ' S' ' 63' ' ' ALA . 77.7 t -64.06 -39.79 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.56 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 57.7 t30 -43.17 -55.86 3.72 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.128 0.489 . . . . 0.0 111.22 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.429 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 3.5 mm? -69.99 -38.72 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.755 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.765 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -63.29 -47.05 83.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.766 -179.2 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.43 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 16.4 mttp -57.51 -35.8 70.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -26.69 66.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.334 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -17.38 28.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.29 -11.15 28.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.827 -0.702 . . . . 0.0 113.259 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' S' ' 38' ' ' LEU . 3.9 mt -84.18 -71.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.765 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.284 179.155 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.621 HG21 ' H ' ' S' ' 43' ' ' THR . 5.3 mp . . . . . 0 N--CA 1.449 -0.481 0 CA-C-O 121.277 0.561 . . . . 0.0 111.945 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.629 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 19.3 m-30 -98.59 134.42 21.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.66 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.3 Cg_endo -48.51 136.91 26.2 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.862 2.374 . . . . 0.0 112.765 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.7 OUTLIER -57.95 -45.24 86.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.258 -179.434 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.93 72.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.427 0.632 . . . . 0.0 110.907 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.514 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.6 OUTLIER -50.14 -21.42 1.29 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.398 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -115.64 -27.45 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.413 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.669 HD12 HD21 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -62.41 -13.52 30.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.239 -179.531 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 166.45 47.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 179.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.735 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.48 142.34 15.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.766 -179.341 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.735 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 96.5 Cg_exo -40.48 79.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.399 2.066 . . . . 0.0 111.837 178.518 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.865 HD22 HG11 ' S' ' 33' ' ' VAL . 2.4 pp -76.29 155.64 83.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.489 -1.232 . . . . 0.0 112.651 -178.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.629 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 55.8 Cg_endo -66.46 -162.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.861 3.041 . . . . 0.0 113.21 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -96.26 -42.5 8.14 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.44 -26.99 3.89 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 119.804 -1.189 . . . . 0.0 110.216 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -81.15 111.24 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 114.786 -0.707 . . . . 0.0 109.645 178.304 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.631 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.7 m-20 -96.6 126.56 42.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.18 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.5 ' HA ' HD21 ' S' ' 38' ' ' LEU . 19.3 Cg_endo -58.18 -38.37 91.56 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.774 2.316 . . . . 0.0 113.58 -178.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.815 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -76.35 -20.58 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.825 -179.25 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.73 ' O ' HD12 ' S' ' 40' ' ' ILE . 0.2 OUTLIER -132.74 91.85 2.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 110.233 179.455 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.796 HD22 ' CE2' ' S' ' 41' ' ' TYR . 8.1 mt -88.14 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -39.2 -25.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.695 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.9 HD13 ' N ' ' S' ' 41' ' ' TYR . 0.0 OUTLIER -77.45 -23.81 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.975 ' CD2' HG22 ' S' ' 33' ' ' VAL . 0.1 OUTLIER -95.77 25.7 4.48 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.651 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.14 115.91 11.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.23 179.751 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.691 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.9 t -59.7 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.9 p30 -68.0 -39.35 83.24 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 122.731 0.412 . . . . 0.0 110.38 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.34 -51.53 65.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 12.5 t0 -66.47 -35.42 80.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.98 -43.69 98.1 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 178.082 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.14 -43.05 77.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.439 -179.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.1 -37.15 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' S' ' 70' ' ' LYS . 1.4 mt -140.01 1.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.249 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 61.41 13.75 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.334 -0.147 . . . . 0.0 111.183 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.642 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.71 -161.17 0.83 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.576 179.472 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 2.8 p -133.97 151.75 51.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.2 -25.71 64.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.513 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.95 -8.99 47.72 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' S' ' 61' ' ' LEU . 2.1 tt0 -93.32 -56.53 2.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.372 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.664 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -62.41 -31.69 72.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.043 177.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.4 OUTLIER -51.35 -26.07 7.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.289 179.558 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.42 -30.9 5.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.654 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.46 HD12 ' HG2' ' S' ' 57' ' ' GLU . 7.8 mt -60.78 159.13 27.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.712 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.427 ' HD2' HD22 ' S' ' 61' ' ' LEU . 67.9 Cg_exo -49.84 143.75 22.55 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.38 2.054 . . . . 0.0 111.851 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.813 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -74.74 -15.0 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.939 -179.469 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.72 -45.82 8.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.37 -42.02 94.94 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.494 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . 0.549 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.71 -44.09 97.12 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.852 HG13 ' O ' ' S' ' 76' ' ' PHE . 77.7 t -63.26 -38.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.559 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.5 t30 -45.86 -60.37 2.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 111.502 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' S' ' 69' ' ' LEU . 9.1 tp -72.35 -12.8 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.855 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.886 ' HG2' HD11 ' S' ' 51' ' ' LEU . 30.9 mtpt -74.49 -46.06 41.95 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.428 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 20.1 mttt -63.3 -37.46 87.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.139 179.222 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.57 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -16.29 30.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.23 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.36 -11.52 28.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.484 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' S' ' 38' ' ' LEU . 7.8 mt -81.24 -73.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.767 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.852 ' O ' HG13 ' S' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 O-C-N 124.363 1.039 . . . . 0.0 111.95 178.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 18' ' ' ILE . . . . . 0.532 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.815 0.34 . . . . 0.0 111.074 . . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 19' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.8 m-30 -93.85 140.09 22.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.832 179.365 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 20' ' ' PRO . . . . . 0.457 ' O ' HD23 ' S' ' 24' ' ' LEU . 5.9 Cg_endo -47.73 106.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.266 2.644 . . . . 0.0 113.515 -178.529 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 21' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -40.23 -36.26 0.5 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.232 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.18 77.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.923 0.392 . . . . 0.0 111.232 -179.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 23' ' ' ASP . . . . . 0.587 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.4 OUTLIER -65.15 -27.38 68.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -179.103 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 24' ' ' LEU . . . . . 0.885 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -95.51 -17.71 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.04 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 25' ' ' LEU . . . . . 0.674 HD11 ' O ' ' S' ' 73' ' ' LYS . 7.7 tp -81.76 -10.66 59.29 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.155 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 26' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 39.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 27' ' ' ARG . . . . . 0.698 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.85 154.0 34.09 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.238 179.133 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 28' ' ' PRO . . . . . 0.521 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.2 Cg_endo -44.89 72.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.244 2.629 . . . . 0.0 112.353 178.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 29' ' ' LEU . . . . . 0.934 HD13 ' CG1' ' S' ' 33' ' ' VAL . 2.6 pp -69.71 155.16 94.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.547 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 30' ' ' PRO . . . . . 0.578 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 68.2 Cg_endo -70.94 -162.95 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.388 2.725 . . . . 0.0 113.372 -179.107 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -93.1 -40.01 10.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.583 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 32' ' ' GLY . . . . . 0.471 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -45.73 -29.87 3.2 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 177.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 33' ' ' VAL . . . . . 0.945 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -74.08 113.87 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.211 -0.994 . . . . 0.0 108.818 177.366 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 34' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' S' ' 36' ' ' LEU . 4.6 m-20 -90.33 126.74 55.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.219 -178.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 35' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 65.4 Cg_endo -73.68 -16.38 23.81 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.588 2.192 . . . . 0.0 113.579 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 36' ' ' LEU . . . . . 0.631 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -78.7 -14.36 59.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.669 0.271 . . . . 0.0 111.644 -179.623 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 37' ' ' LYS . . . . . 0.503 ' N ' HD22 ' S' ' 36' ' ' LEU . 3.2 pttt -177.72 114.34 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 38' ' ' LEU . . . . . 0.763 HD22 ' OH ' ' S' ' 41' ' ' TYR . 2.5 mt -87.46 -36.34 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 39' ' ' GLU . . . . . 0.678 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -44.73 -25.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.672 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 40' ' ' ILE . . . . . 0.435 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -68.33 -38.37 79.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 41' ' ' TYR . . . . . 0.945 ' CZ ' HG22 ' S' ' 33' ' ' VAL . 27.3 p90 -96.25 35.61 1.43 Allowed 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 42' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.4 115.54 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.596 177.429 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 43' ' ' THR . . . . . 0.672 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -60.87 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.09 179.454 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 44' ' ' ASP . . . . . 0.43 ' H ' HG22 ' S' ' 43' ' ' THR . 20.7 p-10 -66.62 -36.91 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.247 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.61 -50.99 55.43 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 46' ' ' ASP . . . . . 0.417 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 14.9 t0 -65.4 -31.83 73.14 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.163 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 47' ' ' PHE . . . . . 0.672 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.09 -47.03 69.33 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.292 177.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.59 -51.74 68.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.651 -178.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -75.18 -15.66 60.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.28 -61.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 51' ' ' LEU . . . . . 0.827 HD22 ' HE2' ' S' ' 58' ' ' TYR . 2.3 mt -109.17 -9.85 15.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 52' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' S' ' 47' ' ' PHE . 3.4 m-20 70.11 13.48 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.519 0.199 . . . . 0.0 111.181 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 53' ' ' MET . . . . . 0.63 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -119.88 -159.94 0.8 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.449 179.378 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 54' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.36 159.12 41.24 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.582 179.85 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 55' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.6 OUTLIER -62.18 -28.45 69.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.76 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -92.22 -8.96 43.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.441 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 0.0 OUTLIER -90.56 -49.76 6.31 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.605 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 58' ' ' TYR . . . . . 0.827 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -71.36 -32.17 68.19 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.333 178.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 59' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.1 m-20 -51.15 -28.07 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.295 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.34 -34.96 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.506 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 61' ' ' LEU . . . . . 0.544 HD22 ' HD2' ' S' ' 62' ' ' PRO . 7.8 mt -60.69 160.53 18.94 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.468 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 62' ' ' PRO . . . . . 0.544 ' HD2' HD22 ' S' ' 61' ' ' LEU . 77.7 Cg_exo -49.35 161.67 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.256 1.971 . . . . 0.0 111.82 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 63' ' ' ALA . . . . . 0.855 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -84.2 -20.24 32.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.673 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 64' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.35 -43.87 10.05 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.563 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 65' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.09 96.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.566 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.92 -41.59 97.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 67' ' ' VAL . . . . . 0.855 HG23 ' O ' ' S' ' 63' ' ' ALA . 97.4 t -66.44 -39.36 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 68' ' ' ASN . . . . . 0.53 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -40.42 -50.45 2.87 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.528 179.058 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 69' ' ' LEU . . . . . 0.731 ' HB3' HD23 ' S' ' 51' ' ' LEU . 1.8 mm? -77.01 -28.93 55.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 70' ' ' LYS . . . . . 0.82 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.6 mtmm -64.61 -52.27 58.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.261 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' S' S ' 71' ' ' LYS . . . . . 0.519 ' HG3' HG12 ' S' ' 67' ' ' VAL . 0.2 OUTLIER -61.31 -36.72 80.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.569 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.67 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 73' ' ' LYS . . . . . 0.674 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.5 OUTLIER -89.77 -16.34 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.693 0.282 . . . . 0.0 111.108 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.22 -10.9 28.92 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.162 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' S' S ' 75' ' ' LEU . . . . . 0.642 ' HB3' HD12 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -83.23 -71.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.204 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' S' S ' 76' ' ' PHE . . . . . 0.82 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.733 179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 41.5 mtt . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.842 0.353 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 67.7 mt -88.26 -31.51 18.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.56 -42.76 14.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.162 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.1 mttm -117.7 141.45 48.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.917 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mt -88.65 158.7 18.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -138.35 114.5 10.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.985 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -111.43 156.2 22.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 8.0 t -133.73 130.57 38.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.935 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.536 HG12 HG23 ' S' ' 43' ' ' THR . 0.9 OUTLIER -89.62 145.58 7.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.123 -179.825 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.672 ' CD2' HG23 ' S' ' 33' ' ' VAL . 6.7 m-30 -96.22 143.97 27.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.105 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -45.75 114.81 0.85 Allowed 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 123.275 2.65 . . . . 0.0 113.166 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.555 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.4 pp -41.86 -36.34 1.03 Allowed 'General case' 0 CA--C 1.528 0.108 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.931 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -56.33 -51.98 66.26 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.889 0.376 . . . . 0.0 110.548 179.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.465 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 1.1 m-20 -51.45 -44.56 62.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.189 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.761 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -84.2 -13.13 53.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.518 -179.531 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.75 HD13 HD23 ' S' ' 75' ' ' LEU . 12.2 tp -104.68 34.54 3.1 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 96.77 49.22 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 113.137 0.792 . . . . 0.0 113.137 178.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.59 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 136.4 10.5 Favored Pre-proline 0 C--N 1.327 -0.371 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 178.527 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.587 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 58.1 Cg_exo -30.68 80.9 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 123.471 2.781 . . . . 0.0 113.071 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.76 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.2 pp -77.79 158.11 78.49 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.302 -0.863 . . . . 0.0 111.777 -179.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.583 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 60.2 Cg_endo -80.24 -159.53 0.11 Allowed 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.129 2.553 . . . . 0.0 112.306 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -93.92 -40.81 9.94 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.514 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.441 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.41 -27.69 5.92 Favored Glycine 0 C--N 1.333 0.386 0 C-N-CA 119.702 -1.237 . . . . 0.0 110.322 178.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.847 HG22 ' CE2' ' S' ' 41' ' ' TYR . 1.2 t -79.56 108.98 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.907 -0.647 . . . . 0.0 109.483 178.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.596 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.4 m-20 -89.02 123.96 66.17 Favored Pre-proline 0 C--N 1.328 -0.357 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.32 -179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.506 ' HA ' HD21 ' S' ' 38' ' ' LEU . 19.6 Cg_endo -58.58 -35.14 99.06 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.67 2.247 . . . . 0.0 113.511 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.76 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -77.18 -17.22 58.7 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.201 0.445 . . . . 0.0 112.201 -179.015 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.597 ' N ' HD22 ' S' ' 36' ' ' LEU . 0.5 OUTLIER -141.99 88.61 2.12 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.901 0.382 . . . . 0.0 111.303 179.544 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.869 HD22 ' OH ' ' S' ' 41' ' ' TYR . 3.7 mt -87.82 -51.25 5.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.671 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.516 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.9 OUTLIER -45.31 -26.92 0.58 Allowed 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 111.976 0.361 . . . . 0.0 111.976 -179.445 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.416 HD12 ' C ' ' S' ' 40' ' ' ILE . 2.4 pp -75.17 -18.24 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.869 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -111.71 32.97 5.04 Favored 'General case' 0 N--CA 1.463 0.197 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -179.232 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.698 HD12 ' CG ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.06 122.42 18.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.019 0.438 . . . . 0.0 110.924 178.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.536 HG23 HG12 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -65.93 156.1 34.5 Favored 'General case' 0 C--O 1.223 -0.293 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.119 179.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' S' ' 48' ' ' GLU . 6.0 p-10 -34.67 -34.11 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.288 -179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -68.04 -55.32 13.02 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 178.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.459 ' OD2' HD11 ' S' ' 24' ' ' LEU . 47.8 t0 -66.45 -32.86 74.49 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.249 -0.887 . . . . 0.0 108.876 177.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.698 ' CG ' HD12 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -70.13 -41.82 73.42 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.53 -1.214 . . . . 0.0 110.625 179.429 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' S' ' 44' ' ' ASP . 10.1 mt-10 -79.69 -25.13 41.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.513 -179.407 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -85.19 -36.45 21.0 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.458 -179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.654 ' CB ' HD11 ' S' ' 75' ' ' LEU . . . -100.38 -22.2 15.14 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.867 ' HG ' HD12 ' S' ' 75' ' ' LEU . 10.0 mt -130.99 -10.75 3.8 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -178.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 53.7 m-20 63.12 13.33 6.74 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.486 0.18 . . . . 0.0 111.486 -179.511 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.653 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -130.66 -172.13 2.73 Favored 'General case' 0 C--O 1.226 -0.142 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 178.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.615 HG22 ' HB2' ' S' ' 57' ' ' GLU . 8.9 t -133.57 156.93 46.94 Favored 'General case' 0 CA--C 1.521 -0.162 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.972 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.487 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -51.73 -26.84 10.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 59.6 m-20 -89.44 -9.38 50.39 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.879 -179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.615 ' HB2' HG22 ' S' ' 54' ' ' THR . 22.0 tp10 -95.53 -55.91 2.87 Favored 'General case' 0 CA--C 1.511 -0.554 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.636 ' CE2' HD22 ' S' ' 51' ' ' LEU . 3.0 m-30 -63.29 -29.42 70.74 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 114.516 -1.22 . . . . 0.0 109.496 178.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.487 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.7 m-20 -52.37 -28.1 18.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.294 179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.96 -34.6 7.96 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.623 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.613 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.3 OUTLIER -60.84 161.66 14.65 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.741 -179.784 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.613 ' HD2' HD23 ' S' ' 61' ' ' LEU . 50.8 Cg_exo -51.48 166.74 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.264 1.976 . . . . 0.0 111.96 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.671 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.24 -23.87 23.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.488 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.529 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.3 -45.37 9.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 179.582 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.482 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.42 -43.86 98.13 Favored 'General case' 0 CA--C 1.515 -0.399 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 179.824 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.489 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.88 -42.33 97.72 Favored 'General case' 0 N--CA 1.448 -0.528 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.671 HG23 ' O ' ' S' ' 63' ' ' ALA . 40.3 t -66.27 -41.0 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.171 177.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.529 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.3 t30 -40.65 -42.49 1.73 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.41 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.545 ' HB3' HD23 ' S' ' 51' ' ' LEU . 2.1 mm? -73.02 -48.1 39.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.444 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.71 ' HG3' HD21 ' S' ' 51' ' ' LEU . 0.4 OUTLIER -48.56 -55.73 10.31 Favored 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.831 0.348 . . . . 0.0 110.972 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -60.48 -29.9 69.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.554 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -71.27 -35.89 71.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.119 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.03 -25.23 20.92 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.092 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 107.84 3.12 34.42 Favored Glycine 0 CA--C 1.52 0.361 0 C-N-CA 120.572 -0.823 . . . . 0.0 113.731 179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.867 HD12 ' HG ' ' S' ' 51' ' ' LEU . 21.6 mt -62.85 -82.05 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 117.434 0.617 . . . . 0.0 110.51 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.52 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 1.0 OUTLIER . . . . . 0 C--O 1.251 1.135 0 CA-C-O 118.285 -0.864 . . . . 0.0 111.208 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.776 0.322 . . . . 0.0 111.262 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mt -78.19 -31.45 49.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.829 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -63.65 -39.63 94.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -92.49 158.69 15.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -90.28 122.02 32.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.813 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 59.8 m -139.67 130.06 25.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.52 129.7 54.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.37 150.12 35.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.2 -179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.774 HD13 ' HA ' ' S' ' 42' ' ' LEU . 1.0 OUTLIER -89.88 120.89 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.289 -179.837 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.657 ' CD2' HG23 ' S' ' 33' ' ' VAL . 5.9 m-30 -89.5 142.21 29.36 Favored Pre-proline 0 C--N 1.328 -0.338 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 178.451 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.407 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.2 Cg_endo -49.89 98.16 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.648 2.232 . . . . 0.0 112.744 -178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.658 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -35.99 -37.48 0.11 Allowed 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.811 -0.632 . . . . 0.0 112.577 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.561 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -68.13 -50.73 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.156 0.503 . . . . 0.0 111.214 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.525 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -56.13 -19.12 12.02 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.947 -179.84 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.968 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -115.32 -23.59 8.83 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -178.246 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.629 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 31.4 tp -57.14 -19.84 22.45 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.629 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 165.87 40.14 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.76 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.826 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.79 155.89 35.76 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-O 119.745 -0.169 . . . . 0.0 110.846 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -34.15 67.26 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.802 0 C-N-CA 123.397 2.731 . . . . 0.0 112.918 178.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.932 HD12 HG11 ' S' ' 33' ' ' VAL . 0.5 OUTLIER -68.12 158.12 85.09 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 114.389 -1.278 . . . . 0.0 112.8 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.491 ' HD2' ' HB2' ' S' ' 29' ' ' LEU . 29.3 Cg_endo -60.67 -164.78 0.04 OUTLIER 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 123.509 2.806 . . . . 0.0 112.846 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -104.4 -40.16 6.18 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.025 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.4 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -48.5 -27.83 6.17 Favored Glycine 0 C--N 1.334 0.428 0 N-CA-C 110.187 -1.165 . . . . 0.0 110.187 178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.932 HG11 HD12 ' S' ' 29' ' ' LEU . 0.9 OUTLIER -79.48 108.93 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 CA-C-N 114.718 -0.741 . . . . 0.0 109.542 178.318 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.568 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.6 m-20 -88.87 125.65 61.94 Favored Pre-proline 0 C--N 1.327 -0.404 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.568 ' HA ' HD21 ' S' ' 38' ' ' LEU . 18.2 Cg_endo -59.93 -32.34 95.0 Favored 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.44 2.093 . . . . 0.0 113.215 -179.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.842 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -76.7 -20.16 56.89 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -179.195 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.842 ' HE2' HD21 ' S' ' 36' ' ' LEU . 0.6 OUTLIER -138.77 91.81 2.56 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.081 0.467 . . . . 0.0 110.55 179.232 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.691 HD12 ' C ' ' S' ' 75' ' ' LEU . 10.2 mt -87.7 -60.02 2.09 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.024 -0.535 . . . . 0.0 112.108 -179.294 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.686 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.6 OUTLIER -42.06 -26.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.264 0.468 . . . . 0.0 112.264 -179.342 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.573 HD12 ' N ' ' S' ' 41' ' ' TYR . 2.2 pp -75.36 -31.05 23.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -179.17 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.968 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -91.25 21.62 4.3 Favored 'General case' 0 N--CA 1.463 0.178 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.345 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.788 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.68 129.19 34.42 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.457 -0.497 . . . . 0.0 111.911 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.658 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.1 t -72.22 -169.73 0.54 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.014 178.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 14.7 p-10 -66.23 -34.8 78.84 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.568 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -64.68 -52.91 54.79 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 179.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.522 ' OD2' HD11 ' S' ' 18' ' ' ILE . 19.9 t0 -66.13 -38.66 88.7 Favored 'General case' 0 N--CA 1.448 -0.573 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 178.321 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.788 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -60.85 -42.94 98.8 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.346 178.224 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 1.4 mt-10 -59.43 -49.04 79.33 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.077 -0.965 . . . . 0.0 111.943 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.8 -14.22 42.82 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 1.025 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.18 -46.99 5.12 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -179.32 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.85 ' HG ' HD12 ' S' ' 75' ' ' LEU . 6.1 mt -120.5 -2.02 10.04 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.432 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 0.8 OUTLIER 62.09 13.42 5.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.447 0.165 . . . . 0.0 111.385 -179.608 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.527 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 3.0 tpp -123.67 -159.15 0.84 Allowed 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.442 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.61 152.16 51.84 Favored 'General case' 0 CA--C 1.518 -0.255 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.73 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.465 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 31.3 ttm180 -57.56 -25.58 60.16 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -91.21 -9.47 45.18 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.47 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.402 ' HG2' ' CD1' ' S' ' 61' ' ' LEU . 4.0 tt0 -93.05 -54.81 3.58 Favored 'General case' 0 CA--C 1.512 -0.509 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 179.193 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.839 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.3 m-85 -61.86 -32.31 72.65 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.646 177.303 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.4 OUTLIER -54.36 -28.55 43.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.521 -0.763 . . . . 0.0 111.302 179.801 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -108.42 -30.55 8.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.604 -179.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.9 163.46 9.73 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.841 -179.759 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.547 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.04 165.75 0.81 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.466 2.11 . . . . 0.0 112.047 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.71 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.21 -26.39 22.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.919 0.39 . . . . 0.0 111.266 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.11 -44.8 9.56 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 179.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -62.13 -43.44 98.83 Favored 'General case' 0 CA--C 1.516 -0.349 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.514 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.97 -39.62 90.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 178.023 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.71 HG23 ' O ' ' S' ' 63' ' ' ALA . 46.5 t -69.31 -39.98 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.047 177.252 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.4 t30 -40.43 -43.03 1.72 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.334 179.301 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.433 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 1.5 mm? -76.36 -47.81 22.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.085 -179.64 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.749 ' HG2' HD11 ' S' ' 51' ' ' LEU . 35.0 mttt -50.3 -53.92 25.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.175 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -67.82 -26.61 66.16 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.997 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.84 -25.48 32.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.43 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . 0.411 ' N ' ' O ' ' S' ' 69' ' ' LEU . 0.0 OUTLIER -89.96 -25.05 21.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.762 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.0 -11.09 29.41 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.825 -0.703 . . . . 0.0 113.141 179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 1.025 HD11 ' HB1' ' S' ' 50' ' ' ALA . 16.1 mt -57.58 -83.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.121 0.46 . . . . 0.0 110.039 179.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.503 ' CD1' ' CD ' ' S' ' 70' ' ' LYS . 1.6 m-85 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.14 -0.933 . . . . 0.0 110.986 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.394 0 CA-C-O 120.803 0.335 . . . . 0.0 111.15 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' S' ' 11' ' ' LEU . 3.9 mm? -58.73 -26.87 64.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.75 -47.72 81.67 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.161 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -108.93 130.71 55.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.828 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -117.32 138.38 51.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.918 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 1.6 t -95.84 163.17 13.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -127.92 140.86 51.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.939 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.8 t -144.4 127.02 16.08 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.714 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.3 mp -89.47 132.44 34.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.768 ' CD2' HG13 ' S' ' 33' ' ' VAL . 4.9 m-30 -92.44 139.42 23.88 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.554 179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.533 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 10.0 Cg_endo -51.48 111.12 0.51 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.664 2.242 . . . . 0.0 112.548 -179.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.561 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.2 pp -42.8 -42.98 3.79 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.327 -179.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.479 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -61.88 -56.88 14.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.203 0.525 . . . . 0.0 110.908 -179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.533 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.3 OUTLIER -48.5 -21.9 0.64 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.269 -0.878 . . . . 0.0 112.522 179.837 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.931 ' CB ' HD23 ' S' ' 29' ' ' LEU . 0.2 OUTLIER -115.07 -28.93 6.82 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.564 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.813 HD12 HD23 ' S' ' 75' ' ' LEU . 2.0 tp -62.66 -17.24 60.11 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.847 -179.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 176.83 43.05 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.089 0.471 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.687 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.35 143.31 16.38 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 -179.41 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.687 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.0 Cg_exo -48.88 82.78 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.574 0 C-N-CA 122.16 1.907 . . . . 0.0 111.646 179.267 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 1.038 HD22 HG21 ' S' ' 33' ' ' VAL . 0.2 OUTLIER -80.11 157.95 72.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 115.423 -0.808 . . . . 0.0 111.998 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.49 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 41.2 Cg_endo -65.33 -162.05 0.05 OUTLIER 'Trans proline' 0 C--N 1.345 0.357 0 C-N-CA 122.734 2.289 . . . . 0.0 111.51 179.178 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -100.75 -18.56 16.42 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.529 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.497 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.34 -26.34 13.92 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.31 177.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 1.038 HG21 HD22 ' S' ' 29' ' ' LEU . 10.4 m -83.37 108.57 16.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-N 115.292 -0.454 . . . . 0.0 110.205 178.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.515 ' O ' HD23 ' S' ' 38' ' ' LEU . 71.8 m-20 -78.04 110.05 12.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 178.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.582 ' HA ' HD21 ' S' ' 38' ' ' LEU . 9.9 Cg_endo -51.92 -21.19 11.5 Favored 'Trans proline' 0 C--N 1.345 0.384 0 C-N-CA 122.716 2.277 . . . . 0.0 113.723 -178.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.634 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -95.15 1.49 54.83 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -179.626 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.561 ' O ' ' HG3' ' S' ' 37' ' ' LYS . 12.7 ptpt -158.39 84.79 0.85 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.166 0.507 . . . . 0.0 110.175 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.705 HD13 ' OH ' ' S' ' 41' ' ' TYR . 5.3 mt -87.27 -53.43 4.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.837 -178.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.6 ' HA ' HD11 ' S' ' 42' ' ' LEU . 22.2 pt-20 -44.14 -24.07 0.14 Allowed 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 112.337 0.495 . . . . 0.0 112.337 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -75.87 -33.25 25.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.786 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -90.48 25.61 2.22 Favored 'General case' 0 N--CA 1.464 0.248 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.815 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.714 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -134.99 122.21 21.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.783 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.88 -174.03 0.02 OUTLIER 'General case' 0 C--O 1.222 -0.373 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.636 178.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.442 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.9 p-10 -62.11 -39.99 94.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.424 0.452 . . . . 0.0 110.707 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -63.54 -54.8 30.41 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 179.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.436 ' O ' ' CB ' ' S' ' 50' ' ' ALA . 12.2 t0 -62.82 -34.35 77.11 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.556 -0.905 . . . . 0.0 108.556 178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.783 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -63.5 -48.02 79.32 Favored 'General case' 0 CA--C 1.512 -0.487 0 CA-C-N 114.84 -1.073 . . . . 0.0 109.575 178.435 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 -58.67 -40.03 82.37 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.97 -1.014 . . . . 0.0 111.546 -179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -92.34 -10.94 36.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.219 0.452 . . . . 0.0 112.219 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.763 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -99.78 -39.32 8.28 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.851 HD21 ' CD ' ' S' ' 70' ' ' LYS . 0.5 OUTLIER -136.95 4.3 2.74 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.18 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 60.83 13.33 4.36 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 122.432 -0.168 . . . . 0.0 111.24 -179.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.654 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -128.29 -167.01 1.7 Allowed 'General case' 0 N--CA 1.462 0.131 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.521 ' CG2' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.3 170.91 14.76 Favored 'General case' 0 C--O 1.233 0.187 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 23.4 ttt180 -69.47 -29.52 67.21 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.369 179.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -87.26 -9.67 54.43 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.868 -179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.647 ' CG ' HD12 ' S' ' 61' ' ' LEU . 1.3 tp10 -95.64 -59.89 1.77 Allowed 'General case' 0 CA--C 1.509 -0.631 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.728 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -56.71 -33.26 66.3 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.474 -1.239 . . . . 0.0 109.541 178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -47.67 -28.32 2.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.089 -0.96 . . . . 0.0 111.48 179.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.0 -30.17 5.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.758 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.647 HD12 ' CG ' ' S' ' 57' ' ' GLU . 2.9 mt -60.86 162.3 12.73 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.829 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.475 ' CD ' HD23 ' S' ' 61' ' ' LEU . 52.7 Cg_exo -52.58 143.78 44.53 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.379 2.052 . . . . 0.0 112.024 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.833 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -72.46 -17.22 61.79 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.703 -179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.549 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.4 -44.04 9.9 Favored 'General case' 0 N--CA 1.441 -0.884 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 179.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -60.75 -42.82 98.17 Favored 'General case' 0 CA--C 1.515 -0.382 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 179.731 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.475 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.77 -39.56 94.57 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 177.774 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.833 HG23 ' O ' ' S' ' 63' ' ' ALA . 55.7 t -66.1 -39.69 85.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 177.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.549 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 53.5 t30 -42.18 -49.71 4.89 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.545 179.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.549 ' CB ' HD23 ' S' ' 51' ' ' LEU . 3.4 mm? -67.29 -38.18 84.59 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.068 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.851 ' CD ' HD21 ' S' ' 51' ' ' LEU . 0.2 OUTLIER -55.11 -64.9 0.69 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 -179.784 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -50.43 -28.58 8.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.669 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -76.72 -27.02 55.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.46 -25.42 14.21 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.165 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 110.15 0.38 29.9 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.888 -0.673 . . . . 0.0 114.225 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.813 HD23 HD12 ' S' ' 25' ' ' LEU . 21.2 mt -65.45 -84.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 117.881 0.841 . . . . 0.0 109.84 179.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.653 ' HB2' ' HB3' ' S' ' 70' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.248 1.003 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.637 179.214 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.815 0.341 . . . . 0.0 111.288 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 16.5 mt -105.06 -32.04 8.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.819 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.94 -47.5 20.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -68.98 151.7 46.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.932 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . 0.554 HD22 ' N ' ' S' ' 14' ' ' LEU . 3.0 mm? -78.12 143.0 37.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.56 140.61 49.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.864 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -92.47 107.93 19.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 43.2 m -147.27 144.63 28.98 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.05 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.704 HG23 ' HA ' ' S' ' 42' ' ' LEU . 2.2 mp -89.42 133.04 32.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.338 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.536 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 6.8 m-30 -90.81 142.01 27.3 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -51.34 110.85 0.46 Allowed 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.616 2.211 . . . . 0.0 112.842 -178.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.663 HD12 ' N ' ' S' ' 22' ' ' ALA . 2.5 pp -43.7 -38.93 3.37 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.892 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.663 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -59.32 -47.62 84.72 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.908 0.385 . . . . 0.0 111.021 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.52 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 9.5 m-20 -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.916 -179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.846 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -84.33 -19.5 33.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.795 -179.254 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.859 HD13 HD23 ' S' ' 75' ' ' LEU . 23.3 tp -83.18 -9.72 59.01 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 -178.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.569 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 173.25 37.72 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 179.532 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.599 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.48 147.81 22.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.829 -0.349 . . . . 0.0 111.278 179.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.526 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 77.5 Cg_exo -49.77 75.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.821 2.347 . . . . 0.0 112.053 178.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.764 HD12 HG11 ' S' ' 33' ' ' VAL . 1.0 OUTLIER -73.26 157.3 88.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.223 -0.898 . . . . 0.0 111.387 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.536 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 43.2 Cg_endo -66.28 -162.94 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.946 2.431 . . . . 0.0 112.278 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -101.99 -11.75 18.69 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.872 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.74 -26.62 11.0 Favored Glycine 0 C--N 1.334 0.461 0 C-N-CA 119.281 -1.437 . . . . 0.0 109.545 177.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.764 HG11 HD12 ' S' ' 29' ' ' LEU . 8.9 m -79.17 155.88 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.487 0 CA-C-N 114.443 -0.878 . . . . 0.0 109.903 177.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.569 ' HB3' HD21 ' S' ' 36' ' ' LEU . 1.0 OUTLIER -125.17 102.83 30.37 Favored Pre-proline 0 C--N 1.32 -0.675 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 178.282 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.688 ' HA ' HD21 ' S' ' 38' ' ' LEU . 1.0 OUTLIER -44.59 -42.01 14.38 Favored 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.903 2.402 . . . . 0.0 113.734 -178.451 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.668 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -65.41 -14.74 61.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.769 0.318 . . . . 0.0 111.396 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.617 ' HD3' HD23 ' S' ' 36' ' ' LEU . 10.1 pttt -160.48 96.07 1.15 Allowed 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 179.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.72 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 6.5 mt -80.03 -53.14 7.0 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.632 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -37.12 -29.12 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -179.432 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.516 HG12 ' HG3' ' S' ' 37' ' ' LYS . 2.5 pp -58.64 -27.15 33.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.846 ' HE1' HD13 ' S' ' 24' ' ' LEU . 28.9 p90 -106.77 33.28 4.01 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 113.199 0.814 . . . . 0.0 113.199 -178.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.704 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.4 OUTLIER -138.59 115.96 11.18 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.103 178.463 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.752 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 4.1 t -59.76 -170.18 0.01 OUTLIER 'General case' 0 C--O 1.223 -0.293 0 N-CA-C 109.775 -0.454 . . . . 0.0 109.775 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.446 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 1.5 p30 -64.05 -38.33 90.68 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 122.769 0.428 . . . . 0.0 110.746 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -65.8 -53.61 37.99 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.472 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 18.2 t0 -64.47 -30.56 71.59 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.752 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -68.67 -47.12 67.33 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.127 -0.942 . . . . 0.0 109.638 178.388 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -60.15 -45.43 93.09 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.082 -0.963 . . . . 0.0 112.136 -178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -85.07 -17.15 38.29 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -178.758 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.913 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.15 -44.78 5.86 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.772 ' HG ' HD12 ' S' ' 75' ' ' LEU . 2.3 mt -123.03 -5.91 8.43 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' S' ' 47' ' ' PHE . 2.5 m-20 62.83 13.59 6.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.491 0.186 . . . . 0.0 111.257 -179.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.577 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -122.25 -162.67 1.01 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.094 -0.242 . . . . 0.0 110.514 179.358 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.6 p -133.43 159.21 41.03 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-O 120.656 0.265 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.409 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 27.5 ttm180 -63.45 -31.5 72.67 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.073 0.463 . . . . 0.0 109.877 178.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -88.85 -8.59 54.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.628 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.48 ' HG3' HD12 ' S' ' 61' ' ' LEU . 3.1 tt0 -92.48 -58.57 2.32 Favored 'General case' 0 CA--C 1.51 -0.59 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.737 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.4 m-30 -60.28 -33.32 72.17 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-N 114.504 -1.226 . . . . 0.0 109.425 178.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.409 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.5 OUTLIER -50.27 -24.99 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.345 179.71 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.23 -34.73 4.9 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.284 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.752 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.87 161.45 15.43 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.61 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.752 ' HD2' HD23 ' S' ' 61' ' ' LEU . 71.4 Cg_exo -49.48 158.18 1.86 Allowed 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.447 2.098 . . . . 0.0 112.208 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.655 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.97 -17.62 30.86 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.641 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.522 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.17 -44.82 9.51 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 179.61 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.471 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -45.3 94.71 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 179.736 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.507 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -60.79 -39.5 89.13 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 177.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.665 HG22 ' CE2' ' S' ' 76' ' ' PHE . 16.0 t -67.1 -40.99 86.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 N-CA-C 108.942 -0.762 . . . . 0.0 108.942 177.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.522 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 55.1 t30 -43.97 -35.82 2.21 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.312 179.167 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.656 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.2 mm? -77.99 -48.73 15.53 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.817 -179.349 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.728 ' HD3' HD11 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -53.09 -49.66 65.98 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 110.502 -179.417 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 3.6 mtpm? -66.46 -27.9 68.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.383 179.101 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.97 -30.57 44.54 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.317 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 4.1 tppt? -94.51 -25.26 16.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.939 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.1 -7.45 29.04 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.548 -0.834 . . . . 0.0 113.766 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.913 HD11 ' HB1' ' S' ' 50' ' ' ALA . 58.0 mt -51.61 -85.53 0.0 OUTLIER 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 117.626 0.713 . . . . 0.0 109.966 179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.665 ' CE2' HG22 ' S' ' 67' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.191 -0.909 . . . . 0.0 111.783 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.7 ttm . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.874 0.369 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -80.85 -31.71 35.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.799 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.47 -30.36 67.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.233 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 3.2 mmmt -97.73 116.55 30.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.973 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 4.2 mt -81.13 124.52 29.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.775 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -122.1 114.32 20.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.118 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 15.5 mttt -113.96 122.68 47.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.683 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 7.5 t -124.67 141.27 52.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.009 0.433 . . . . 0.0 111.204 -179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.725 ' CG1' HG23 ' S' ' 43' ' ' THR . 28.7 mm -89.37 150.42 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.227 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.611 ' CD2' HG13 ' S' ' 33' ' ' VAL . 1.8 m-30 -89.73 130.28 43.62 Favored Pre-proline 0 CA--C 1.531 0.235 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.478 ' O ' HD23 ' S' ' 24' ' ' LEU . 8.3 Cg_endo -51.21 105.81 0.12 Allowed 'Trans proline' 0 C--N 1.35 0.62 0 C-N-CA 122.776 2.317 . . . . 0.0 112.778 -178.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.595 ' O ' HD23 ' S' ' 25' ' ' LEU . 0.8 OUTLIER -40.56 -37.35 0.7 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.913 -0.585 . . . . 0.0 112.091 -179.734 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.67 -43.75 95.77 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.166 0.508 . . . . 0.0 110.774 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.554 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 5.3 m-20 -66.73 -34.97 79.02 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.635 -0.711 . . . . 0.0 111.872 -179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.924 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -89.1 -11.87 42.76 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -178.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.771 ' O ' HD12 ' S' ' 25' ' ' LEU . 2.5 pp -109.25 11.89 25.15 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.583 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.507 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 176.42 19.93 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 113.979 1.103 . . . . 0.0 113.979 179.321 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.587 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.88 154.29 34.37 Favored Pre-proline 0 N--CA 1.463 0.187 0 O-C-N 121.89 -0.506 . . . . 0.0 111.429 179.64 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.454 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 10.2 Cg_endo -50.86 76.2 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 123.047 2.498 . . . . 0.0 111.809 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.899 ' CD1' HG21 ' S' ' 33' ' ' VAL . 1.5 pt? -74.62 151.48 87.11 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.038 -0.983 . . . . 0.0 112.014 -179.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.465 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 36.8 Cg_endo -63.44 -161.12 0.04 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 123.068 2.512 . . . . 0.0 111.927 179.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -102.75 -17.05 15.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.485 ' HA3' ' CZ ' ' S' ' 19' ' ' TYR . . . -50.53 -27.26 11.67 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 119.45 -1.357 . . . . 0.0 109.871 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.917 HG12 ' CE1' ' S' ' 41' ' ' TYR . 16.7 m -81.18 126.17 39.71 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.44 0 CA-C-N 114.611 -0.794 . . . . 0.0 110.215 178.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.558 ' O ' HD23 ' S' ' 38' ' ' LEU . 4.7 m-20 -95.3 103.76 13.27 Favored Pre-proline 0 C--N 1.323 -0.549 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.304 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.542 ' HA ' HD21 ' S' ' 38' ' ' LEU . 6.2 Cg_exo -39.89 -44.17 3.55 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 123.052 2.502 . . . . 0.0 113.651 -178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.744 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -73.17 -20.98 60.78 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.082 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.792 ' HE3' HG21 ' S' ' 40' ' ' ILE . 1.7 ptmt -138.84 92.96 2.65 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.668 0.271 . . . . 0.0 110.771 179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.782 ' HA ' ' CE2' ' S' ' 41' ' ' TYR . 7.8 mt -88.06 -50.33 6.47 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.632 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -49.73 -19.9 0.72 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -178.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.792 HG21 ' HE3' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -72.03 -32.84 45.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -178.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.924 ' CE1' HD13 ' S' ' 24' ' ' LEU . 31.6 p90 -100.59 33.88 2.6 Favored 'General case' 0 C--N 1.334 -0.102 0 N-CA-C 112.863 0.69 . . . . 0.0 112.863 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.782 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -137.99 123.56 19.7 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.661 -0.416 . . . . 0.0 111.08 178.439 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.725 HG23 ' CG1' ' S' ' 18' ' ' ILE . 8.1 p -67.1 -176.96 0.59 Allowed 'General case' 0 C--O 1.224 -0.246 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.067 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.474 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 18.4 p-10 -60.98 -33.37 73.12 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.49 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -66.57 -51.26 58.41 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.401 ' HA ' ' CD2' ' S' ' 21' ' ' LEU . 6.0 t0 -66.1 -38.02 87.2 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.782 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -62.03 -44.61 96.33 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.344 178.194 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' S' ' 44' ' ' ASP . 2.4 mt-10 -58.18 -46.68 85.34 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.062 -0.972 . . . . 0.0 111.678 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.58 -14.75 39.31 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -179.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.49 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -100.16 -43.88 6.16 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.843 HD21 ' HG3' ' S' ' 70' ' ' LYS . 5.1 mt -125.53 -5.33 7.09 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' S' ' 47' ' ' PHE . 27.6 m-20 64.87 13.29 8.43 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.293 -0.163 . . . . 0.0 111.314 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.651 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.56 -159.05 0.85 Allowed 'General case' 0 N--CA 1.463 0.18 0 C-N-CA 121.1 -0.24 . . . . 0.0 110.489 179.124 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.8 p -133.65 153.67 51.5 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.547 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.427 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.6 OUTLIER -61.93 -25.62 67.7 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.545 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -90.81 -9.37 46.73 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.267 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.617 ' HG3' HD12 ' S' ' 61' ' ' LEU . 7.4 tp10 -94.27 -54.37 3.58 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 108.546 -0.909 . . . . 0.0 108.546 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.634 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -62.14 -32.57 73.18 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 114.657 -1.156 . . . . 0.0 108.931 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.402 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.0 m-20 -51.52 -25.82 7.33 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.224 -0.898 . . . . 0.0 111.25 179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.01 -32.46 6.35 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.588 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.617 HD12 ' HG3' ' S' ' 57' ' ' GLU . 0.8 OUTLIER -60.76 168.49 2.55 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.802 -179.86 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.512 ' CD ' HD23 ' S' ' 61' ' ' LEU . 49.5 Cg_exo -54.44 160.68 6.55 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.34 2.027 . . . . 0.0 112.063 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.816 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.17 -24.36 23.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.255 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.539 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -45.49 8.89 Favored 'General case' 0 N--CA 1.44 -0.973 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.377 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.477 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.68 97.26 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.295 179.644 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.436 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.02 -40.52 98.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 177.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.816 HG23 ' O ' ' S' ' 63' ' ' ALA . 74.9 t -67.7 -39.78 82.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 177.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.539 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 54.9 t30 -41.92 -42.12 2.67 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-O 121.197 0.522 . . . . 0.0 110.736 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.54 ' HB3' HD23 ' S' ' 51' ' ' LEU . 2.7 mm? -72.84 -47.88 42.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.523 -0.762 . . . . 0.0 111.144 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.843 ' HG3' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -49.54 -61.95 1.82 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.955 0.407 . . . . 0.0 110.69 -179.775 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -48.75 -40.75 29.83 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.805 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.61 -33.41 74.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.94 179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.3 mmpt? -90.19 -25.34 20.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 95.88 41.31 3.85 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.857 -0.687 . . . . 0.0 113.227 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.595 ' HB2' ' HG2' ' S' ' 70' ' ' LYS . 5.1 mt -108.4 -79.43 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.798 ' CD1' ' HD2' ' S' ' 70' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.064 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 5.2 mmt . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.181 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 8.5 mt -99.17 -30.98 11.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.4 -42.04 90.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 mttp -92.52 123.31 35.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.834 -179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 1.3 mt -118.85 158.58 25.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.863 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -128.97 152.53 48.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.978 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.0 mmtt -115.54 124.62 51.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 11.7 m -153.11 143.65 22.62 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.931 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.659 HG23 ' HA ' ' S' ' 42' ' ' LEU . 4.2 mp -89.83 128.83 41.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.331 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.523 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.5 m-30 -99.5 156.97 34.8 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.505 179.025 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.418 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 5.7 Cg_endo -49.19 100.72 0.04 OUTLIER 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.926 2.417 . . . . 0.0 112.87 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.592 ' HA ' HD11 ' S' ' 24' ' ' LEU . 2.3 pp -39.02 -33.93 0.14 Allowed 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.5 -43.47 73.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.049 0.452 . . . . 0.0 110.923 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.559 ' HA ' ' CG ' ' S' ' 27' ' ' ARG . 0.3 OUTLIER -66.61 -28.87 68.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.003 -179.415 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.999 ' HA ' HD23 ' S' ' 29' ' ' LEU . 0.1 OUTLIER -89.17 -19.96 24.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.894 0.378 . . . . 0.0 111.679 -179.618 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.92 HD12 ' CD2' ' S' ' 75' ' ' LEU . 1.6 tp -72.19 -22.17 61.32 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 112.565 0.58 . . . . 0.0 112.565 -178.522 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.652 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 163.38 48.81 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 113.191 0.812 . . . . 0.0 113.191 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.722 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.89 154.25 34.3 Favored Pre-proline 0 C--N 1.327 -0.376 0 O-C-N 122.261 -0.274 . . . . 0.0 110.966 178.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.485 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.1 Cg_endo -43.56 71.3 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 123.248 2.632 . . . . 0.0 112.158 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.999 HD23 ' HA ' ' S' ' 24' ' ' LEU . 0.4 OUTLIER -71.05 150.2 94.81 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.655 -179.649 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.523 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 11.8 Cg_endo -54.97 -164.25 0.01 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 123.372 2.715 . . . . 0.0 113.208 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . 0.422 ' C ' ' N ' ' S' ' 33' ' ' VAL . 4.4 tp10 -96.97 -39.61 9.28 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.85 -179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.467 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -45.69 -28.74 2.68 Favored Glycine 0 C--N 1.337 0.607 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 177.643 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.955 HG22 ' CE2' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -75.62 130.41 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 114.021 -1.09 . . . . 0.0 109.178 177.433 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.418 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 18.1 m-20 -97.39 139.43 21.43 Favored Pre-proline 0 C--N 1.326 -0.43 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.379 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -80.73 -7.13 13.5 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.548 2.165 . . . . 0.0 113.963 -178.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.586 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -115.02 10.67 16.29 Favored 'General case' 0 CA--C 1.53 0.21 0 C-N-CA 120.954 -0.298 . . . . 0.0 111.753 -179.64 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.556 ' HG3' HG12 ' S' ' 40' ' ' ILE . 11.0 pttm -172.55 93.49 0.12 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.088 0.471 . . . . 0.0 110.476 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.769 HD22 ' OH ' ' S' ' 41' ' ' TYR . 2.7 mt -87.45 -49.36 7.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.944 -0.571 . . . . 0.0 112.103 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.753 ' HA ' HD11 ' S' ' 42' ' ' LEU . 7.7 pt-20 -39.22 -27.85 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 N-CA-C 112.76 0.652 . . . . 0.0 112.76 -179.521 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.757 HD12 ' N ' ' S' ' 41' ' ' TYR . 2.3 pp -73.9 -36.59 45.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 N-CA-C 113.309 0.855 . . . . 0.0 113.309 -178.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.955 ' CE2' HG22 ' S' ' 33' ' ' VAL . 0.5 OUTLIER -89.87 27.82 1.48 Allowed 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 -178.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.753 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.51 119.1 13.93 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.203 178.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.745 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.1 t -60.04 -166.99 0.01 OUTLIER 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.827 -0.434 . . . . 0.0 109.827 178.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.44 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 23.5 p-10 -66.15 -39.45 89.81 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 122.795 0.438 . . . . 0.0 110.417 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 50.1 mm-40 -65.21 -54.69 25.65 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.43 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 21.5 t0 -62.83 -30.09 71.23 Favored 'General case' 0 N--CA 1.448 -0.574 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.745 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.27 -48.82 63.99 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.446 178.041 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -56.31 -51.94 66.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.581 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -75.49 -15.15 60.44 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -179.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.786 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.32 -61.42 1.37 Allowed 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -179.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.967 HD11 ' HD3' ' S' ' 70' ' ' LYS . 3.0 mt -108.36 -10.7 15.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.875 -179.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.403 ' N ' ' O ' ' S' ' 47' ' ' PHE . 11.5 m-20 70.08 13.42 7.8 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.603 0.24 . . . . 0.0 110.956 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.619 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -120.65 -160.35 0.83 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.548 179.325 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.3 p -133.48 154.53 50.74 Favored 'General case' 0 C--O 1.231 0.118 0 C-N-CA 120.896 -0.321 . . . . 0.0 110.62 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.451 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.0 ttp85 -61.99 -29.8 70.5 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 178.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -89.39 -8.78 52.41 Favored 'General case' 0 CA--C 1.53 0.2 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.504 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -92.97 -58.29 2.38 Favored 'General case' 0 CA--C 1.51 -0.571 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.613 ' HE2' HD22 ' S' ' 51' ' ' LEU . 1.6 m-30 -60.94 -32.16 71.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 114.487 -1.233 . . . . 0.0 109.412 177.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.451 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -48.92 -27.35 3.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.602 179.85 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.33 -32.3 7.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.596 -0.274 . . . . 0.0 111.519 -179.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.756 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.94 160.2 22.19 Favored Pre-proline 0 C--N 1.328 -0.364 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.782 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.756 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.2 Cg_exo -53.59 139.51 66.54 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.312 2.008 . . . . 0.0 111.977 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.829 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -63.82 -17.51 63.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.012 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.531 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.23 -41.54 11.53 Favored 'General case' 0 N--CA 1.441 -0.911 0 N-CA-C 109.258 -0.645 . . . . 0.0 109.258 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.425 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -41.97 98.02 Favored 'General case' 0 CA--C 1.517 -0.296 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 179.642 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.79 -39.5 94.4 Favored 'General case' 0 N--CA 1.449 -0.521 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.829 HG23 ' O ' ' S' ' 63' ' ' ALA . 78.6 t -66.82 -40.48 85.98 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 177.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.531 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 60.2 t30 -43.43 -52.65 5.9 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.415 179.327 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.463 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.4 mm? -67.3 -35.67 79.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.42 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.967 ' HD3' HD11 ' S' ' 51' ' ' LEU . 2.1 mmmm -53.54 -61.09 2.52 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.94 0.4 . . . . 0.0 110.672 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -64.97 -28.81 69.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.972 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -73.7 -34.61 64.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.034 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 -25.34 20.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.674 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.82 5.47 41.51 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.781 -0.723 . . . . 0.0 113.173 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.92 ' CD2' HD12 ' S' ' 25' ' ' LEU . 2.0 mt -58.27 -86.75 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 117.112 0.456 . . . . 0.0 110.307 179.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.637 ' CE2' HG13 ' S' ' 67' ' ' VAL . 1.4 m-85 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.209 -0.9 . . . . 0.0 112.244 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 1.6 ptp . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.726 0.298 . . . . 0.0 111.272 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -75.49 -31.47 60.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.22 -42.31 13.91 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.101 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mtpt -125.39 152.62 44.56 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.41 118.4 19.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.016 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 84.2 m -133.09 130.45 39.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 16.5 mttt -77.83 147.43 35.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.895 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 3.6 t -124.61 116.26 22.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.726 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.4 mp -89.29 134.43 28.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.293 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . . . . . . . . . 3.3 m-30 -89.85 142.16 28.83 Favored Pre-proline 0 C--N 1.328 -0.369 0 N-CA-C 108.86 -0.792 . . . . 0.0 108.86 178.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.46 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 11.9 Cg_endo -53.47 107.24 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.651 2.234 . . . . 0.0 112.755 -178.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.645 HD12 ' N ' ' S' ' 22' ' ' ALA . 1.1 pp -38.27 -45.66 1.0 Allowed 'General case' 0 C--O 1.225 -0.22 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.403 -179.771 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.645 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -57.97 -64.16 1.01 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.213 0.53 . . . . 0.0 111.034 -179.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.497 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 0.6 OUTLIER -44.56 -20.83 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.352 -0.84 . . . . 0.0 112.86 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.796 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -115.16 -22.56 9.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 111.925 0.342 . . . . 0.0 111.925 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 1.097 HD12 HD21 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -73.95 -8.02 54.55 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.527 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 172.01 40.76 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.953 0.406 . . . . 0.0 111.211 179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.658 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.62 140.37 13.81 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.447 -179.595 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.658 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 90.9 Cg_exo -40.42 82.59 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 122.554 2.17 . . . . 0.0 112.035 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.814 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.8 pp -78.14 159.07 76.31 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 114.752 -1.113 . . . . 0.0 112.245 -179.089 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -90.45 -162.05 0.11 Allowed 'Trans proline' 0 N--CA 1.456 -0.708 0 C-N-CA 123.522 2.814 . . . . 0.0 112.892 -179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . 0.605 ' C ' ' H ' ' S' ' 33' ' ' VAL . 3.0 tt0 -82.31 -172.33 3.94 Favored 'General case' 0 CA--C 1.511 -0.522 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.197 178.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . 62.36 -1.58 1.45 Allowed Glycine 0 N--CA 1.448 -0.514 0 N-CA-C 109.223 -1.551 . . . . 0.0 109.223 -175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.814 ' CG1' HD22 ' S' ' 29' ' ' LEU . 0.9 OUTLIER -126.54 108.16 18.54 Favored 'Isoleucine or valine' 0 N--CA 1.441 -0.902 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 179.546 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.483 ' HB2' ' HG3' ' S' ' 37' ' ' LYS . 9.9 m-20 -109.72 121.57 41.75 Favored Pre-proline 0 C--N 1.32 -0.694 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.637 ' HA ' HD21 ' S' ' 38' ' ' LEU . 13.2 Cg_endo -54.15 -20.6 19.57 Favored 'Trans proline' 0 C--N 1.344 0.305 0 C-N-CA 122.876 2.384 . . . . 0.0 113.505 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.521 HD23 ' HG2' ' S' ' 35' ' ' PRO . 0.2 OUTLIER -99.8 22.38 11.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.774 0.321 . . . . 0.0 111.145 -179.741 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.483 ' HG3' ' HB2' ' S' ' 34' ' ' ASP . 17.0 ptpt -178.26 76.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.98 179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 1.06 HD12 HD23 ' S' ' 75' ' ' LEU . 1.5 mt -87.5 -40.45 14.3 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.64 -179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.549 ' HA ' HD11 ' S' ' 42' ' ' LEU . 3.2 pt-20 -49.1 -22.21 0.89 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.816 -179.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 pp -80.39 -5.58 8.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 N-CA-C 112.594 0.59 . . . . 0.0 112.594 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.806 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.2 OUTLIER -131.68 20.89 4.65 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.87 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -129.02 132.06 47.45 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.665 -0.414 . . . . 0.0 111.532 179.48 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.612 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 5.9 t -74.27 -174.25 1.92 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.407 179.153 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.448 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.5 p30 -61.26 -33.16 73.07 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.0 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -69.39 -54.03 16.46 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 179.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -63.41 -29.39 70.69 Favored 'General case' 0 N--CA 1.448 -0.527 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.87 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -71.98 -48.51 44.4 Favored 'General case' 0 CA--C 1.515 -0.391 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.487 178.305 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -65.96 -37.71 86.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.184 -0.916 . . . . 0.0 111.738 -178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -62.41 -50.44 71.53 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 112.236 0.458 . . . . 0.0 112.236 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.495 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.34 -45.46 5.58 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -178.374 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.822 HD11 ' HG2' ' S' ' 70' ' ' LYS . 5.8 mp -89.75 -17.95 27.28 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.281 0.474 . . . . 0.0 112.281 -178.258 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' S' ' 47' ' ' PHE . 23.4 m-20 60.67 18.11 8.17 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.605 0.24 . . . . 0.0 111.447 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.503 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 4.0 tpp -130.75 -158.42 0.89 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.576 -0.283 . . . . 0.0 110.432 179.795 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 3.9 p -133.36 153.65 51.41 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 121.014 -0.274 . . . . 0.0 110.506 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.43 ' HD2' ' CE2' ' S' ' 47' ' ' PHE . 5.8 tpt180 -57.25 -26.35 60.64 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 178.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -9.32 46.82 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.536 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -95.05 -53.26 3.88 Favored 'General case' 0 CA--C 1.514 -0.429 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.457 ' CD2' ' HB2' ' S' ' 66' ' ' GLN . 2.6 m-30 -63.52 -30.78 71.85 Favored 'General case' 0 N--CA 1.448 -0.556 0 CA-C-N 114.884 -1.053 . . . . 0.0 108.84 177.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -52.65 -29.19 24.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.302 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.88 -32.85 8.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.601 -179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.629 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.96 158.93 30.57 Favored Pre-proline 0 C--N 1.327 -0.37 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.854 -179.873 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.629 ' HD2' HD23 ' S' ' 61' ' ' LEU . 50.3 Cg_exo -52.96 142.27 53.66 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.446 2.097 . . . . 0.0 111.96 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.849 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -64.26 -17.84 63.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.946 -179.455 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -89.19 -42.12 11.84 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.574 ' O ' ' HB3' ' S' ' 68' ' ' ASN . 0.1 OUTLIER -63.84 -38.06 89.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.711 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.478 ' CD ' ' HA ' ' S' ' 63' ' ' ALA . 3.0 pt20 -64.0 -40.84 97.25 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 107.751 -1.203 . . . . 0.0 107.751 177.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.972 HG13 ' HB3' ' S' ' 76' ' ' PHE . 44.5 t -70.24 -35.72 64.3 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.396 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 176.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.574 ' HB3' ' O ' ' S' ' 65' ' ' LYS . 4.9 t-20 -42.86 -62.88 0.9 Allowed 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.778 179.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.658 HD23 ' O ' ' S' ' 51' ' ' LEU . 1.2 tp -70.03 -31.4 69.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.039 0.447 . . . . 0.0 110.585 -179.727 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.822 ' HG2' HD11 ' S' ' 51' ' ' LEU . 2.4 mtmp? -66.67 -31.97 72.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.809 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.859 ' HG3' HG12 ' S' ' 67' ' ' VAL . 14.2 mttt -72.03 -33.93 68.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.351 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.55 -30.68 2.36 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 121.136 0.493 . . . . 0.0 110.291 179.148 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -110.84 -25.06 10.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.282 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 98.35 49.34 1.72 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.958 -0.639 . . . . 0.0 112.849 179.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 1.097 HD21 HD12 ' S' ' 25' ' ' LEU . 1.8 mt -103.9 -85.53 0.46 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.546 0.212 . . . . 0.0 111.409 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.972 ' HB3' HG13 ' S' ' 67' ' ' VAL . 50.9 p90 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.306 -0.854 . . . . 0.0 111.679 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 3.0 ttt . . . . . 0 N--CA 1.486 1.329 0 CA-C-O 120.832 0.349 . . . . 0.0 111.219 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.51 -30.67 70.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.934 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -89.68 -30.28 18.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.235 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . 0.757 ' C ' HD22 ' S' ' 14' ' ' LEU . 40.8 mttt -91.01 152.5 20.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . 0.757 HD22 ' C ' ' S' ' 13' ' ' LYS . 3.4 mm? -130.76 122.9 28.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.018 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 27.5 t -147.09 144.89 29.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.024 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -75.42 160.95 29.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.754 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.7 t -110.67 110.7 21.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.173 0.511 . . . . 0.0 111.212 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.766 HD13 ' N ' ' S' ' 19' ' ' TYR . 0.0 OUTLIER -94.02 126.52 46.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.903 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.766 ' N ' HD13 ' S' ' 18' ' ' ILE . 3.8 m-30 -89.88 131.75 38.46 Favored Pre-proline 0 CA--C 1.531 0.23 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -37.86 110.07 0.08 OUTLIER 'Trans proline' 0 C--N 1.347 0.496 0 C-N-CA 123.359 2.706 . . . . 0.0 113.354 -178.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.522 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.6 pp -42.67 -29.41 0.3 Allowed 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.778 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.433 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.04 -46.26 82.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.074 0.464 . . . . 0.0 110.051 179.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.444 ' O ' ' HB3' ' S' ' 29' ' ' LEU . 1.1 m-20 -53.15 -41.24 64.95 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.006 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.813 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -87.6 -9.54 54.02 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.629 -179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.953 HD13 HD23 ' S' ' 75' ' ' LEU . 10.8 tp -111.77 38.07 2.75 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 -178.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 97.27 47.02 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 178.01 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.635 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.91 136.4 10.49 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.884 -0.144 . . . . 0.0 110.68 178.451 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.635 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 57.2 Cg_exo -32.36 82.23 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.83 0 C-N-CA 123.262 2.642 . . . . 0.0 113.2 179.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.808 HD22 ' CG1' ' S' ' 33' ' ' VAL . 1.5 pp -78.48 158.09 76.71 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 115.29 -0.868 . . . . 0.0 112.01 -179.451 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.543 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 69.4 Cg_endo -78.29 -159.08 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 123.105 2.537 . . . . 0.0 112.141 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -94.58 -40.26 9.94 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.619 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.433 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.61 -25.03 6.22 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 119.662 -1.256 . . . . 0.0 110.511 178.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.808 ' CG1' HD22 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -84.59 112.54 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.531 0 CA-C-N 114.93 -0.635 . . . . 0.0 110.054 178.627 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.44 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 1.3 m-20 -96.52 122.04 58.38 Favored Pre-proline 0 CA--C 1.531 0.221 0 N-CA-C 109.995 -0.372 . . . . 0.0 109.995 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.509 ' HA ' HD21 ' S' ' 38' ' ' LEU . 11.8 Cg_endo -55.49 -27.14 57.69 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.811 2.34 . . . . 0.0 113.485 -179.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.813 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -80.92 -9.5 59.82 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -178.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.813 ' HE2' HD21 ' S' ' 36' ' ' LEU . 6.3 pttt -157.05 88.87 1.04 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.752 0.311 . . . . 0.0 111.557 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.862 HD22 ' OH ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.85 -38.85 15.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.754 0.311 . . . . 0.0 111.712 179.845 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.825 ' OE2' HG23 ' S' ' 40' ' ' ILE . 3.0 pm0 -54.17 -20.06 6.14 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.905 -179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.825 HG23 ' OE2' ' S' ' 39' ' ' GLU . 2.0 pp -83.48 -25.45 7.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.862 ' OH ' HD22 ' S' ' 38' ' ' LEU . 0.4 OUTLIER -104.5 30.05 5.65 Favored 'General case' 0 C--N 1.333 -0.15 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -179.229 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.677 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -135.8 117.14 14.63 Favored 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 120.776 -0.37 . . . . 0.0 111.103 179.079 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.693 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.1 p -59.68 -177.95 0.06 Allowed 'General case' 0 C--O 1.223 -0.336 0 N-CA-C 109.904 -0.406 . . . . 0.0 109.904 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.416 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 11.7 p-10 -58.54 -35.48 72.37 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 122.933 0.493 . . . . 0.0 111.204 -179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -66.22 -54.56 23.64 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.536 ' OD2' HD11 ' S' ' 18' ' ' ILE . 9.3 t0 -63.87 -34.68 78.5 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 178.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.693 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.1 OUTLIER -64.94 -47.2 78.51 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 114.808 -1.087 . . . . 0.0 109.569 178.468 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.42 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 2.3 mt-10 -59.1 -50.96 72.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.027 -0.988 . . . . 0.0 111.681 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -16.0 58.92 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.528 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -100.32 -61.57 1.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.777 ' HG ' HD13 ' S' ' 75' ' ' LEU . 3.7 mt -107.06 -2.95 20.53 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.35 0.5 . . . . 0.0 112.35 -178.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 7.9 m-20 64.21 13.47 7.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.844 -0.162 . . . . 0.0 111.317 -179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.655 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -123.18 -163.01 1.07 Allowed 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.38 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.445 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 30.2 p -133.61 158.24 43.7 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 120.913 -0.315 . . . . 0.0 111.079 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.466 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 11.3 ttt-85 -62.53 -29.61 70.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.11 179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -88.07 -8.9 54.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.927 -0.578 . . . . 0.0 111.434 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.6 ' HG3' HD12 ' S' ' 61' ' ' LEU . 0.9 OUTLIER -95.07 -58.8 2.05 Favored 'General case' 0 CA--C 1.51 -0.566 0 N-CA-C 108.712 -0.847 . . . . 0.0 108.712 179.323 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.557 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.2 m-30 -59.12 -29.87 67.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.855 -1.066 . . . . 0.0 109.101 177.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.433 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -51.43 -26.9 8.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.212 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.63 -32.63 5.47 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.478 -179.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.715 HD23 ' HD2' ' S' ' 62' ' ' PRO . 3.0 mt -60.77 149.55 79.52 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.836 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.715 ' HD2' HD23 ' S' ' 61' ' ' LEU . 2.9 Cg_endo -42.38 127.95 4.41 Favored 'Trans proline' 0 N--CA 1.463 -0.284 0 C-N-CA 123.211 2.607 . . . . 0.0 112.171 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.743 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -63.87 -15.69 59.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.859 -0.609 . . . . 0.0 112.159 -179.307 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.528 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.31 -43.09 10.58 Favored 'General case' 0 N--CA 1.442 -0.862 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 179.453 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.443 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.35 -44.3 97.41 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.483 179.716 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.447 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -60.24 -44.19 95.44 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 107.748 -1.205 . . . . 0.0 107.748 177.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.786 HG13 ' HE1' ' S' ' 76' ' ' PHE . 40.5 t -60.27 -42.91 92.21 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 176.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.594 ' O ' ' HB2' ' S' ' 72' ' ' ALA . 50.0 t30 -46.03 -32.81 3.01 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-O 121.142 0.496 . . . . 0.0 110.441 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.551 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.5 mm? -84.79 -43.66 14.0 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.091 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.773 ' HG2' HD21 ' S' ' 51' ' ' LEU . 23.3 mttt -56.36 -51.77 67.08 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.669 0.271 . . . . 0.0 110.591 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -70.36 -30.54 67.5 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.768 0.318 . . . . 0.0 110.786 179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . 0.594 ' HB2' ' O ' ' S' ' 68' ' ' ASN . . . -56.29 -31.43 63.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.087 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . 0.488 ' CE ' HD21 ' S' ' 25' ' ' LEU . 6.9 tttt -116.81 17.15 15.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 64.92 13.87 57.76 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.875 -0.678 . . . . 0.0 112.961 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.953 HD23 HD13 ' S' ' 25' ' ' LEU . 12.5 mt -53.91 -92.56 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.774 0.321 . . . . 0.0 110.685 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.786 ' HE1' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.215 -0.897 . . . . 0.0 111.047 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.819 0.343 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.48 -40.1 62.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.865 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.58 -35.7 80.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.084 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 19.1 mttt -72.9 148.41 44.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.797 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 87.3 mt -132.52 106.34 7.78 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 35.4 t -117.56 137.25 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.801 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -135.05 110.29 8.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.174 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 57.7 m -136.19 110.89 8.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.437 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.69 HG21 ' H ' ' S' ' 43' ' ' THR . 2.8 tp -115.18 164.14 11.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.302 -179.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 7.2 m-30 -89.8 125.65 60.25 Favored Pre-proline 0 CA--C 1.536 0.415 0 N-CA-C 110.106 -0.331 . . . . 0.0 110.106 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.425 ' O ' ' CD2' ' S' ' 24' ' ' LEU . 1.9 Cg_endo -43.57 133.98 7.21 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 123.357 2.704 . . . . 0.0 113.622 -178.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 2.2 pp -49.62 -41.98 43.71 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.116 -179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.426 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -65.82 -45.09 83.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.142 0.496 . . . . 0.0 109.931 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.685 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -46.44 -26.94 0.95 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.17 179.165 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.818 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -113.81 -28.66 7.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.516 -179.335 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.788 HD13 HD23 ' S' ' 75' ' ' LEU . 17.6 tp -72.7 47.8 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.322 0.49 . . . . 0.0 112.322 -178.54 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 94.85 46.8 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.167 178.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.693 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.84 138.68 12.33 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.466 179.229 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.693 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.0 Cg_exo -34.52 79.41 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 122.895 2.397 . . . . 0.0 112.678 179.072 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.672 HD13 ' H ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -75.59 158.16 83.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 -179.486 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.573 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 71.6 Cg_endo -78.31 -158.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.346 0.405 0 C-N-CA 123.268 2.645 . . . . 0.0 112.026 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -91.3 -42.08 10.57 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.779 -179.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.442 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -50.06 -24.21 6.37 Favored Glycine 0 C--N 1.33 0.229 0 C-N-CA 119.6 -1.286 . . . . 0.0 110.564 178.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.965 HG22 ' CD1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -87.15 107.97 17.62 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 CA-C-N 115.238 -0.481 . . . . 0.0 110.087 178.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.527 ' CB ' HD21 ' S' ' 36' ' ' LEU . 13.9 m-20 -94.76 118.29 66.81 Favored Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.37 179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.33 -21.61 61.51 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.581 2.187 . . . . 0.0 113.52 -179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.563 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.78 -11.4 60.83 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.785 0.291 . . . . 0.0 111.785 -179.603 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.534 ' CE ' HD23 ' S' ' 36' ' ' LEU . 7.6 ptpt -174.25 113.48 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.874 0.369 . . . . 0.0 110.345 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.823 ' HA ' ' CZ ' ' S' ' 41' ' ' TYR . 1.4 mp -88.11 -40.19 13.97 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.816 0.673 . . . . 0.0 112.816 -178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.655 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -41.83 -28.07 0.14 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.281 0.475 . . . . 0.0 112.281 -179.438 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.447 HG12 ' O ' ' S' ' 37' ' ' LYS . 50.4 pt -71.22 -33.66 51.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 -178.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.965 ' CD1' HG22 ' S' ' 33' ' ' VAL . 6.0 p90 -105.52 43.04 1.16 Allowed 'General case' 0 N--CA 1.463 0.176 0 N-CA-C 113.31 0.855 . . . . 0.0 113.31 -179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.695 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.64 11.01 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 177.442 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.69 ' H ' HG21 ' S' ' 18' ' ' ILE . 12.8 t -65.18 156.72 30.85 Favored 'General case' 0 C--O 1.223 -0.34 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.222 -179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' S' ' 48' ' ' GLU . 5.0 p-10 -33.29 -35.61 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.262 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -68.31 -51.65 42.28 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.537 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 58.5 t0 -68.71 -34.06 74.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.151 -0.931 . . . . 0.0 109.043 177.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.695 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -69.77 -39.8 76.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.033 179.198 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' S' ' 44' ' ' ASP . 1.6 mt-10 -79.66 -28.97 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.632 -0.713 . . . . 0.0 111.297 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 25.5 t80 -90.29 -31.47 16.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.464 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.13 -21.43 15.56 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.307 0.484 . . . . 0.0 112.307 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.751 HD21 ' HA ' ' S' ' 70' ' ' LYS . 9.4 mt -135.47 -5.24 2.28 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 1.4 m-20 61.28 13.28 4.77 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 121.139 -0.224 . . . . 0.0 111.346 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.669 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 2.9 tpp -131.52 -166.26 1.69 Allowed 'General case' 0 CA--C 1.522 -0.1 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 10.4 p -133.55 162.17 32.63 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.498 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 17.8 ttt180 -61.65 -25.94 67.69 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.756 -0.461 . . . . 0.0 109.756 178.567 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -90.03 -9.05 50.04 Favored 'General case' 0 CA--C 1.531 0.221 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.13 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -95.09 -56.2 2.82 Favored 'General case' 0 CA--C 1.514 -0.428 0 N-CA-C 108.766 -0.828 . . . . 0.0 108.766 179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.617 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.7 m-30 -62.93 -29.84 71.1 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 114.8 -1.091 . . . . 0.0 109.203 177.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -51.49 -29.95 18.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.28 179.778 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.61 -34.07 7.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.638 -179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.741 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.78 160.36 20.36 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 120.856 0.36 . . . . 0.0 110.913 -179.743 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.741 ' HD2' HD23 ' S' ' 61' ' ' LEU . 2.3 Cg_endo -44.06 157.78 0.14 Allowed 'Trans proline' 0 N--CA 1.461 -0.395 0 C-N-CA 123.066 2.51 . . . . 0.0 112.14 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.831 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.06 -26.6 22.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.321 -0.4 . . . . 0.0 112.04 -179.054 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.506 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.49 -45.95 8.63 Favored 'General case' 0 N--CA 1.44 -0.934 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 179.45 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.484 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.86 -40.95 94.84 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.333 179.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.473 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.98 -44.02 97.62 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 177.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.831 HG23 ' O ' ' S' ' 63' ' ' ALA . 88.8 t -65.03 -40.22 88.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 177.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.505 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 61.1 t30 -41.84 -45.83 3.77 Favored 'General case' 0 C--N 1.341 0.225 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.186 179.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 5.2 tp -79.1 -30.2 43.71 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.751 ' HA ' HD21 ' S' ' 51' ' ' LEU . 59.0 mttt -56.53 -50.99 70.22 Favored 'General case' 0 C--N 1.332 -0.166 0 N-CA-C 109.854 -0.425 . . . . 0.0 109.854 179.365 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.443 ' HG2' ' HB2' ' S' ' 76' ' ' PHE . 2.0 mttm -61.91 -42.71 99.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.718 179.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -46.99 -35.24 6.38 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.733 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.97 -20.18 23.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.299 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.37 16.36 9.62 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.656 -0.783 . . . . 0.0 113.05 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.814 ' HB3' HD13 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -107.74 -69.21 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.224 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.73 ' O ' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.095 -0.955 . . . . 0.0 111.432 179.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.946 0.403 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 7.2 mt -102.91 -31.54 10.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.922 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.59 82.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 mttt -109.59 160.47 16.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . 0.631 ' N ' HD12 ' S' ' 14' ' ' LEU . 1.6 mp -110.97 114.64 28.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.875 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -138.43 131.18 29.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.971 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.23 113.38 24.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.835 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 1.7 t -141.7 133.0 26.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.975 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.55 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -89.77 127.61 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.992 -179.905 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.544 ' CD2' HG23 ' S' ' 33' ' ' VAL . 7.2 m-30 -89.91 136.77 28.74 Favored Pre-proline 0 C--N 1.329 -0.301 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.148 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_endo -46.91 109.34 0.2 Allowed 'Trans proline' 0 C--N 1.347 0.485 0 C-N-CA 122.883 2.389 . . . . 0.0 112.698 -179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.718 HD23 ' CG ' ' S' ' 46' ' ' ASP . 1.0 OUTLIER -45.46 -35.6 3.87 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.961 -179.794 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.08 -51.18 57.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.122 0.487 . . . . 0.0 111.276 -179.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.644 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -55.13 -18.92 6.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.981 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.859 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -115.64 -25.58 7.79 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.854 -178.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.623 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 38.3 tp -53.95 -18.49 3.52 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.029 -0.532 . . . . 0.0 112.087 -178.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.623 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 167.16 41.4 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.747 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.69 155.76 35.97 Favored Pre-proline 0 C--N 1.328 -0.345 0 O-C-N 122.38 -0.2 . . . . 0.0 110.86 179.641 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -39.21 69.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.349 0.579 0 C-N-CA 123.691 2.927 . . . . 0.0 112.986 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.825 HD22 HG11 ' S' ' 33' ' ' VAL . 2.4 pp -69.06 158.07 87.51 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 114.99 -1.004 . . . . 0.0 112.085 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.504 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 45.5 Cg_endo -65.59 -163.98 0.07 OUTLIER 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 123.374 2.716 . . . . 0.0 113.089 -179.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -97.98 -39.21 9.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.933 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.472 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.28 -27.02 7.2 Favored Glycine 0 C--N 1.333 0.392 0 C-N-CA 119.692 -1.242 . . . . 0.0 110.076 177.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.825 HG11 HD22 ' S' ' 29' ' ' LEU . 1.2 t -79.14 110.3 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 CA-C-N 114.805 -0.697 . . . . 0.0 109.436 177.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.467 ' O ' HD23 ' S' ' 38' ' ' LEU . 66.5 m-20 -94.72 134.36 25.23 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.705 ' HA ' HD21 ' S' ' 38' ' ' LEU . 40.3 Cg_endo -67.48 -40.9 9.66 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.512 2.141 . . . . 0.0 113.556 -178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.637 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -71.07 -9.47 58.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.704 0.288 . . . . 0.0 111.714 -179.429 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.67 ' HB2' HD13 ' S' ' 40' ' ' ILE . 0.6 OUTLIER -145.43 87.94 1.83 Allowed 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 120.801 0.334 . . . . 0.0 110.371 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.705 HD21 ' HA ' ' S' ' 35' ' ' PRO . 2.5 mt -87.31 -56.86 3.18 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.739 -179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.631 ' HA ' HD11 ' S' ' 42' ' ' LEU . 7.2 pt-20 -50.18 -23.94 2.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.245 0.545 . . . . 0.0 110.854 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.67 HD13 ' HB2' ' S' ' 37' ' ' LYS . 1.9 mp -62.29 -39.12 82.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.443 -0.799 . . . . 0.0 112.305 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.859 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -93.8 29.48 2.05 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -178.601 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.631 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -138.21 116.24 11.68 Favored 'General case' 0 CA--C 1.516 -0.329 0 C-N-CA 120.206 -0.598 . . . . 0.0 111.461 178.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.709 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 10.3 t -59.96 -166.99 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.456 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -67.1 -39.18 86.68 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.684 179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -63.69 -53.19 55.2 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.718 ' CG ' HD23 ' S' ' 21' ' ' LEU . 10.9 t0 -64.89 -34.42 78.36 Favored 'General case' 0 N--CA 1.446 -0.65 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.709 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -63.49 -45.88 88.7 Favored 'General case' 0 CA--C 1.511 -0.542 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.283 178.036 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -56.91 -44.78 82.74 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.003 -0.999 . . . . 0.0 111.752 -179.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -88.56 -13.79 39.22 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.346 0.498 . . . . 0.0 112.346 -179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.636 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.02 -45.27 5.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.783 0.325 . . . . 0.0 111.838 -179.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.85 HD11 ' CG ' ' S' ' 70' ' ' LYS . 3.5 mt -127.85 -1.69 5.96 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' S' ' 47' ' ' PHE . 13.7 m-20 60.34 13.95 4.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.568 0.223 . . . . 0.0 111.205 -179.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.603 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.68 -162.0 0.87 Allowed 'General case' 0 N--CA 1.463 0.217 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.648 179.581 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.434 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.74 147.23 51.31 Favored 'General case' 0 CA--C 1.519 -0.235 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.861 179.866 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -56.72 -29.26 62.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.931 0.395 . . . . 0.0 110.019 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -87.02 -8.92 56.68 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.777 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 49.4 tt0 -94.22 -62.76 1.28 Allowed 'General case' 0 CA--C 1.509 -0.615 0 N-CA-C 108.774 -0.824 . . . . 0.0 108.774 179.527 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.655 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.1 m-30 -56.14 -30.59 62.37 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 114.688 -1.142 . . . . 0.0 109.051 177.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.476 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.57 -24.1 3.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.423 179.551 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.25 -33.43 5.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.687 0.28 . . . . 0.0 111.525 -179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.789 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.77 160.54 19.24 Favored Pre-proline 0 C--N 1.327 -0.385 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.618 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.789 ' HD2' HD23 ' S' ' 61' ' ' LEU . 77.4 Cg_exo -49.2 159.55 1.08 Allowed 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.381 2.054 . . . . 0.0 111.927 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.751 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.67 -18.41 29.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.737 -179.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.535 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.13 -43.48 10.43 Favored 'General case' 0 N--CA 1.441 -0.903 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 179.577 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.471 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -61.6 -43.81 98.17 Favored 'General case' 0 CA--C 1.515 -0.392 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.534 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.415 ' HG2' ' HA ' ' S' ' 63' ' ' ALA . 3.9 pt20 -62.45 -37.83 87.44 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 177.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.751 HG23 ' O ' ' S' ' 63' ' ' ALA . 24.2 t -67.12 -40.92 86.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 177.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.535 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.4 t30 -47.2 -49.9 21.98 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.303 179.196 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' S' ' 69' ' ' LEU . 5.4 tp -70.98 -42.49 69.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.471 -179.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.85 ' CG ' HD11 ' S' ' 51' ' ' LEU . 1.1 mtmp? -52.12 -44.6 64.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.715 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' S' ' 67' ' ' VAL . 17.0 mtpt -65.36 -32.49 74.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.068 179.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -63.66 -36.78 84.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.24 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.84 -22.42 22.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.922 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.59 -10.25 28.14 Favored Glycine 0 N--CA 1.449 -0.445 0 C-N-CA 120.568 -0.825 . . . . 0.0 114.108 178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.696 ' C ' HD12 ' S' ' 38' ' ' LEU . 19.8 mt -56.11 -84.1 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 118.007 0.904 . . . . 0.0 109.412 179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.66 ' CD2' HG22 ' S' ' 67' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.172 -0.918 . . . . 0.0 110.368 178.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 8.5 ttm . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.813 0.339 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . 0.568 ' H ' HD12 ' S' ' 11' ' ' LEU . 5.0 mp -68.03 -42.53 80.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.887 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.41 -36.07 80.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.065 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 mmtm -77.11 156.73 31.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 2.0 mp -123.61 158.94 30.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 12.7 t -121.51 129.17 52.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.996 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.47 132.88 36.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.855 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 7.3 m -107.54 139.41 42.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.995 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.793 HG23 ' HA ' ' S' ' 42' ' ' LEU . 2.9 mp -89.44 132.21 34.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.28 -179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.663 ' CD2' HG23 ' S' ' 33' ' ' VAL . 4.9 m-30 -90.63 139.63 26.45 Favored Pre-proline 0 C--N 1.327 -0.374 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.128 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 9.7 Cg_endo -51.84 103.44 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.793 2.329 . . . . 0.0 112.779 -178.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.68 ' HA ' HD11 ' S' ' 24' ' ' LEU . 1.0 OUTLIER -40.26 -38.67 0.82 Allowed 'General case' 0 C--O 1.226 -0.149 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.216 -179.797 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.515 ' N ' HD12 ' S' ' 21' ' ' LEU . . . -67.07 -46.36 74.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.04 0.448 . . . . 0.0 111.447 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.666 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -61.92 -17.51 57.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.829 -179.586 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.872 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -114.4 -18.99 11.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.622 -178.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.57 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 33.7 tp -72.84 -9.79 59.07 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.285 -0.416 . . . . 0.0 112.04 -179.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.42 36.64 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.696 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.82 154.59 34.89 Favored Pre-proline 0 C--N 1.33 -0.241 0 C-N-CA 121.025 -0.27 . . . . 0.0 111.232 179.497 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.492 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.0 Cg_endo -43.49 71.8 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.708 0 C-N-CA 123.435 2.757 . . . . 0.0 112.525 178.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.747 HD22 HG11 ' S' ' 33' ' ' VAL . 3.0 pp -69.99 159.0 85.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.974 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.496 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 51.8 Cg_endo -65.84 -163.72 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.487 2.791 . . . . 0.0 113.124 -179.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -100.37 -36.41 9.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.014 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -48.99 -26.96 6.28 Favored Glycine 0 C--N 1.333 0.394 0 C-N-CA 119.618 -1.277 . . . . 0.0 109.98 177.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.792 HG22 ' CE2' ' S' ' 41' ' ' TYR . 1.2 t -79.09 110.38 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.529 0 CA-C-N 114.376 -0.912 . . . . 0.0 109.376 178.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.465 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 53.8 m-20 -91.39 122.99 65.24 Favored Pre-proline 0 C--N 1.326 -0.427 0 C-N-CA 120.992 -0.283 . . . . 0.0 110.521 -179.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.528 ' HA ' HD21 ' S' ' 38' ' ' LEU . 30.7 Cg_endo -63.47 -28.29 70.77 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.778 2.319 . . . . 0.0 113.463 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.613 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -85.33 5.16 31.82 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -179.351 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.47 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -167.35 90.73 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.174 -179.873 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.699 HD13 ' OH ' ' S' ' 41' ' ' TYR . 2.0 mt -87.64 -59.37 2.27 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -178.36 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.65 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -41.07 -27.28 0.06 Allowed 'General case' 0 N--CA 1.467 0.419 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -178.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.47 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -67.26 -32.97 59.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 -178.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.872 ' CE1' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -96.19 28.85 3.03 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -178.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.793 ' HA ' HG23 ' S' ' 18' ' ' ILE . 0.2 OUTLIER -138.13 121.96 17.65 Favored 'General case' 0 CA--C 1.518 -0.288 0 C-N-CA 120.556 -0.457 . . . . 0.0 111.505 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.665 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 7.6 t -63.52 -167.91 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.986 178.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.546 ' CB ' HG22 ' S' ' 54' ' ' THR . 10.0 p-10 -66.8 -38.3 86.23 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 122.884 0.473 . . . . 0.0 110.357 179.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -64.55 -52.54 57.18 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.621 ' CG ' HD23 ' S' ' 21' ' ' LEU . 9.8 t0 -65.46 -33.15 75.26 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 178.327 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.681 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -65.65 -45.61 82.32 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-N 115.335 -0.848 . . . . 0.0 108.96 177.904 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -54.42 -48.8 71.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.311 -179.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -81.69 -11.15 59.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.739 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.459 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -100.18 -61.25 1.39 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.781 0.324 . . . . 0.0 111.717 -179.552 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.763 HD21 ' CA ' ' S' ' 70' ' ' LYS . 2.9 mt -117.08 2.01 12.62 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.935 0.346 . . . . 0.0 111.935 -179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.35 14.04 6.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.468 0.175 . . . . 0.0 111.457 -179.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.653 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -117.98 -160.52 0.79 Allowed 'General case' 0 N--CA 1.462 0.125 0 C-N-CA 121.153 -0.219 . . . . 0.0 110.68 179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.546 HG22 ' CB ' ' S' ' 44' ' ' ASP . 0.8 OUTLIER -133.82 153.7 51.54 Favored 'General case' 0 C--O 1.233 0.2 0 C-N-CA 120.989 -0.284 . . . . 0.0 110.69 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.0 OUTLIER -58.28 -28.15 64.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.079 0.466 . . . . 0.0 109.986 178.842 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -87.97 -9.09 54.61 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.742 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.434 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 4.8 tt0 -94.57 -59.73 1.87 Allowed 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 179.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.673 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.7 m-30 -58.91 -29.77 67.32 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 114.787 -1.097 . . . . 0.0 108.869 177.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.27 -29.89 10.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.72 . . . . 0.0 111.543 179.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -111.62 -29.63 7.66 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.847 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.66 154.81 54.66 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.744 -179.815 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.847 ' HD2' HD23 ' S' ' 61' ' ' LEU . 74.6 Cg_exo -47.26 147.87 5.31 Favored 'Trans proline' 0 C--N 1.347 0.478 0 C-N-CA 122.363 2.042 . . . . 0.0 111.815 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.713 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -74.35 -18.33 60.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.995 -179.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.52 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.51 -46.2 8.47 Favored 'General case' 0 N--CA 1.441 -0.883 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 179.808 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.483 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.47 -41.45 97.26 Favored 'General case' 0 CA--C 1.517 -0.324 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.89 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' S' ' 62' ' ' PRO . 3.7 pt20 -63.19 -41.08 99.13 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 177.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.87 HG12 ' HE2' ' S' ' 71' ' ' LYS . 48.0 t -68.12 -39.21 80.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.181 177.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.518 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.7 t30 -41.68 -53.57 3.55 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.7 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.444 HD12 ' HA ' ' S' ' 69' ' ' LEU . 8.8 tp -78.54 -19.43 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.336 -179.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.763 ' CA ' HD21 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -69.2 -49.23 58.43 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.935 0.398 . . . . 0.0 110.139 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.87 ' HE2' HG12 ' S' ' 67' ' ' VAL . 31.6 mtmt -62.28 -45.5 92.99 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.768 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.42 -28.08 41.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.678 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.92 -18.0 26.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.242 -179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.19 -8.83 29.02 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.975 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.69 ' HB3' HD12 ' S' ' 38' ' ' LEU . 0.7 OUTLIER -85.37 -69.83 0.63 Allowed 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.221 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.635 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.11 0 CA-C-N 114.637 -1.165 . . . . 0.0 110.469 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.842 0.353 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . 0.541 ' H ' HD12 ' S' ' 11' ' ' LEU . 4.5 mp -64.08 -20.56 66.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -53.65 -48.68 69.17 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.844 0.354 . . . . 0.0 111.357 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 9.0 mtmt -113.96 135.59 53.83 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.906 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 69.6 mt -109.79 160.04 16.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.856 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -143.83 143.09 31.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.098 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 9.1 mtmm -134.32 149.4 50.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.546 179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 2.2 t -134.97 110.57 9.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.217 0.532 . . . . 0.0 111.431 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.626 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -90.44 124.91 43.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.478 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.937 179.702 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.731 ' HD2' HG13 ' S' ' 33' ' ' VAL . 4.9 m-30 -89.7 130.02 44.63 Favored Pre-proline 0 CA--C 1.53 0.189 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 179.275 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 4.7 Cg_exo -38.75 112.75 0.14 Allowed 'Trans proline' 0 C--N 1.349 0.594 0 C-N-CA 123.249 2.633 . . . . 0.0 113.202 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -39.6 -34.35 0.23 Allowed 'General case' 0 C--O 1.226 -0.139 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.838 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.429 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -61.69 -47.72 84.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.002 0.429 . . . . 0.0 110.169 179.567 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.64 ' HB3' ' HB3' ' S' ' 29' ' ' LEU . 0.7 OUTLIER -51.78 -42.47 62.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.13 179.483 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.844 ' HA ' HD23 ' S' ' 29' ' ' LEU . 0.1 OUTLIER -86.78 -22.45 25.9 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.469 -179.771 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 1.016 HD12 HD21 ' S' ' 75' ' ' LEU . 0.2 OUTLIER -98.5 43.01 1.07 Allowed 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 112.58 0.585 . . . . 0.0 112.58 -178.347 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.635 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 93.05 50.57 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.619 0.97 . . . . 0.0 113.619 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.588 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.99 132.94 8.02 Favored Pre-proline 0 C--N 1.328 -0.357 0 N-CA-C 110.457 -0.201 . . . . 0.0 110.457 178.089 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.588 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 48.8 Cg_exo -34.53 83.55 0.0 OUTLIER 'Trans proline' 0 C--N 1.353 0.799 0 C-N-CA 123.141 2.561 . . . . 0.0 112.974 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.994 HD22 HG21 ' S' ' 33' ' ' VAL . 0.4 OUTLIER -90.77 157.65 43.44 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.373 -178.863 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.508 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 72.6 Cg_endo -72.97 -159.2 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.907 2.404 . . . . 0.0 111.016 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.5 -16.51 17.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.653 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.532 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -53.36 -23.49 18.92 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 119.383 -1.389 . . . . 0.0 110.4 177.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.994 HG21 HD22 ' S' ' 29' ' ' LEU . 12.1 m -86.13 108.93 18.08 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.266 0 CA-C-N 115.456 -0.372 . . . . 0.0 110.719 178.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.564 ' HB3' HD21 ' S' ' 36' ' ' LEU . 5.9 m-20 -81.54 107.52 8.33 Favored Pre-proline 0 C--N 1.32 -0.674 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 178.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.733 ' HA ' HD21 ' S' ' 38' ' ' LEU . 10.0 Cg_endo -52.19 -26.97 28.21 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.606 2.204 . . . . 0.0 113.456 -178.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.651 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -69.15 -12.39 61.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.762 0.315 . . . . 0.0 111.63 -179.812 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.56 ' HE3' HD23 ' S' ' 36' ' ' LEU . 4.3 ptpp? -171.99 104.74 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.173 0.511 . . . . 0.0 109.734 179.72 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.851 HD12 ' HA ' ' S' ' 75' ' ' LEU . 5.9 mt -88.06 -46.61 9.17 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -177.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.668 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -39.7 -27.76 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -179.023 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.471 HG23 ' OE1' ' S' ' 39' ' ' GLU . 45.5 pt -67.25 -29.3 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 113.306 0.854 . . . . 0.0 113.306 -178.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.819 ' OH ' HD22 ' S' ' 38' ' ' LEU . 2.6 p90 -103.85 30.65 4.97 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.702 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -134.27 115.55 14.25 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.739 178.397 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 20.8 p -60.52 -174.82 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.314 179.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.479 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 4.6 p-10 -62.7 -32.9 74.08 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.465 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -67.3 -50.45 60.19 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.487 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 8.5 t0 -67.61 -34.03 76.18 Favored 'General case' 0 N--CA 1.446 -0.633 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.264 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.702 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.3 OUTLIER -66.63 -43.38 84.87 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.118 178.226 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -60.13 -39.58 86.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.024 -0.989 . . . . 0.0 111.921 -179.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.11 -22.15 18.07 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.12 -14.12 18.69 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -179.171 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.707 HD11 ' HG3' ' S' ' 70' ' ' LYS . 11.6 mt -149.76 -6.86 0.33 Allowed 'General case' 0 CA--C 1.533 0.305 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 63.55 13.33 7.16 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.491 0.182 . . . . 0.0 111.491 -179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.571 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 5.6 tpp -126.73 -159.17 0.91 Allowed 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.563 179.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.1 p -133.57 156.7 47.35 Favored 'General case' 0 CA--C 1.521 -0.163 0 C-N-CA 120.991 -0.284 . . . . 0.0 110.894 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.521 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 4.8 ttm180 -60.93 -27.12 67.99 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 178.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -87.86 -9.24 54.36 Favored 'General case' 0 CA--C 1.53 0.183 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.197 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.461 ' HG3' HD12 ' S' ' 61' ' ' LEU . 0.9 OUTLIER -95.13 -57.02 2.54 Favored 'General case' 0 CA--C 1.512 -0.484 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 179.158 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.68 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.58 -26.04 67.71 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.111 177.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.1 OUTLIER -53.85 -31.2 48.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.379 179.539 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -114.24 -26.84 7.85 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.753 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.58 156.1 45.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 0.0 110.658 -179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.753 ' HD2' HD23 ' S' ' 61' ' ' LEU . 3.6 Cg_exo -40.27 159.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 123.251 2.634 . . . . 0.0 112.203 -179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.78 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.22 -26.36 22.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.896 -179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.541 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.49 -45.32 9.03 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 108.95 -0.759 . . . . 0.0 108.95 179.553 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.468 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -61.57 -41.36 97.27 Favored 'General case' 0 CA--C 1.514 -0.422 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 179.63 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.475 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.4 pt20 -62.93 -41.47 99.48 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 177.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.78 HG23 ' O ' ' S' ' 63' ' ' ALA . 53.1 t -67.06 -41.03 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.153 177.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.541 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.2 t30 -41.34 -49.37 3.77 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.131 0.491 . . . . 0.0 111.227 179.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.513 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 4.6 mm? -72.3 -34.21 67.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.421 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.813 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.2 mtpt -63.22 -53.52 51.78 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.59 -179.381 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.459 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 24.5 mttt -57.43 -34.76 69.29 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.269 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.85 -8.58 59.75 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.37 0.508 . . . . 0.0 112.37 -179.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . 0.592 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.0 OUTLIER -107.22 -18.67 13.82 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 121.001 -0.28 . . . . 0.0 111.638 -179.636 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . 0.41 ' O ' HD23 ' S' ' 75' ' ' LEU . . . 111.25 35.01 2.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.525 -0.845 . . . . 0.0 113.122 179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 1.016 HD21 HD12 ' S' ' 25' ' ' LEU . 0.1 OUTLIER -139.22 -68.64 0.43 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.1 0.476 . . . . 0.0 109.996 179.381 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.813 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.054 0 CA-C-N 114.569 -1.196 . . . . 0.0 111.207 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 4.8 tmm? . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.857 0.36 . . . . 0.0 111.19 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mp -92.29 -31.35 15.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.27 -31.33 69.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . 0.565 ' C ' HD12 ' S' ' 14' ' ' LEU . 9.7 mmtt -100.92 174.74 5.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . 0.565 HD12 ' C ' ' S' ' 13' ' ' LYS . 9.5 mp -130.24 105.27 7.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 92.9 m -137.75 123.62 20.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.924 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 15.7 mttt -134.9 114.89 13.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 89.4 m -106.72 149.27 27.47 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.707 HG23 ' HA ' ' S' ' 42' ' ' LEU . 30.3 mm -89.6 118.58 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-O 121.073 0.463 . . . . 0.0 111.766 -179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.641 ' CD2' HG23 ' S' ' 33' ' ' VAL . 2.6 m-30 -90.09 148.04 38.5 Favored Pre-proline 0 C--N 1.328 -0.362 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.475 ' O ' HD23 ' S' ' 24' ' ' LEU . 10.2 Cg_endo -53.41 110.24 0.46 Allowed 'Trans proline' 0 N--CA 1.474 0.338 0 C-N-CA 122.947 2.431 . . . . 0.0 113.26 -178.322 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.479 HD22 ' HA ' ' S' ' 46' ' ' ASP . 0.2 OUTLIER -41.21 -41.64 1.89 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.886 -0.597 . . . . 0.0 112.347 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.85 -47.14 85.92 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.276 0.56 . . . . 0.0 110.271 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.808 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 10.1 m-20 -60.25 -43.05 96.47 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.398 -0.819 . . . . 0.0 112.084 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.91 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -83.73 -16.1 46.14 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.505 0.557 . . . . 0.0 112.505 -178.551 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 1.079 HD13 HD23 ' S' ' 75' ' ' LEU . 17.5 tp -85.21 -9.29 57.96 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.075 0.768 . . . . 0.0 113.075 -177.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 161.58 43.21 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.857 0.317 . . . . 0.0 111.857 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.808 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.9 143.89 16.7 Favored Pre-proline 0 C--N 1.324 -0.515 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.697 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.702 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 77.6 Cg_exo -41.22 79.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.351 0.681 0 C-N-CA 122.473 2.115 . . . . 0.0 112.047 178.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.66 ' N ' ' O ' ' S' ' 27' ' ' ARG . 0.0 OUTLIER -75.94 159.15 81.44 Favored Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 114.732 -1.122 . . . . 0.0 111.9 -179.181 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_exo -66.1 -153.7 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 123.239 2.626 . . . . 0.0 112.805 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.45 -44.92 5.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.051 -0.977 . . . . 0.0 111.093 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.426 ' HA3' ' OH ' ' S' ' 19' ' ' TYR . . . -47.68 -28.15 5.01 Favored Glycine 0 C--N 1.334 0.429 0 C-N-CA 119.841 -1.171 . . . . 0.0 110.222 178.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.97 HG22 ' CE1' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -79.14 108.8 13.13 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.576 0 CA-C-N 114.594 -0.803 . . . . 0.0 109.428 178.137 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.438 ' CB ' ' HG2' ' S' ' 37' ' ' LYS . 3.1 m-20 -76.95 133.38 69.56 Favored Pre-proline 0 C--N 1.325 -0.471 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 179.658 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_endo -74.94 -0.32 9.8 Favored 'Trans proline' 0 CA--C 1.528 0.222 0 C-N-CA 122.517 2.144 . . . . 0.0 113.494 -178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.744 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -130.31 13.9 5.58 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 111.836 0.31 . . . . 0.0 111.836 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.441 ' HD3' HD21 ' S' ' 36' ' ' LEU . 22.1 pttt -167.96 86.36 0.22 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 0.0 111.052 179.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.98 HD22 ' OH ' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -87.52 -39.84 14.81 Favored 'General case' 0 CA--C 1.518 -0.277 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.622 -179.829 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.732 ' HA ' HD11 ' S' ' 42' ' ' LEU . 2.1 pt-20 -45.14 -25.71 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.612 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . . . . . . . . . 2.3 pp -79.61 -21.57 12.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 -178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.98 ' OH ' HD22 ' S' ' 38' ' ' LEU . 7.7 p90 -115.86 33.47 5.48 Favored 'General case' 0 N--CA 1.463 0.207 0 N-CA-C 113.099 0.777 . . . . 0.0 113.099 -179.244 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.732 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.0 115.86 11.52 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 120.486 -0.486 . . . . 0.0 111.774 178.796 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.642 HG23 HG13 ' S' ' 18' ' ' ILE . 0.7 OUTLIER -60.04 157.95 11.95 Favored 'General case' 0 C--O 1.221 -0.396 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.67 179.274 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -37.59 -32.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.47 0.708 . . . . 0.0 112.082 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -70.64 -52.91 18.15 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 178.679 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.479 ' HA ' HD22 ' S' ' 21' ' ' LEU . 15.1 t0 -68.01 -27.03 66.2 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-N 115.085 -0.961 . . . . 0.0 108.793 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.721 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -75.22 -43.62 50.77 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 114.472 -1.24 . . . . 0.0 110.205 179.394 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.4 mt-10 -69.92 -45.69 66.99 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.712 -179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.05 -20.33 57.85 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 112.238 0.458 . . . . 0.0 112.238 -178.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.35 -61.0 1.42 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.814 HD21 ' CG ' ' S' ' 70' ' ' LYS . 4.9 mt -101.11 -6.83 23.82 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.65 0.611 . . . . 0.0 112.65 -178.368 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 18.5 m-20 65.95 13.34 9.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.606 -178.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.602 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -133.02 -177.89 4.71 Favored 'General case' 0 C--O 1.226 -0.15 0 N-CA-C 109.357 -0.609 . . . . 0.0 109.357 179.04 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.51 HG22 ' HB2' ' S' ' 57' ' ' GLU . 2.7 t -132.64 162.38 31.49 Favored 'General case' 0 CA--C 1.519 -0.239 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.492 179.488 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.5 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.1 OUTLIER -55.49 -24.2 30.15 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.56 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.12 -9.19 43.44 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.736 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.51 ' HB2' HG22 ' S' ' 54' ' ' THR . 0.0 OUTLIER -95.54 -54.33 3.41 Favored 'General case' 0 CA--C 1.513 -0.458 0 CA-C-O 121.688 0.756 . . . . 0.0 109.108 179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.6 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.2 m-30 -66.82 -34.35 77.63 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 114.394 -1.276 . . . . 0.0 110.022 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.5 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -41.02 -32.21 0.23 Allowed 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.92 -179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -105.68 -33.9 7.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.689 -179.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.864 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.4 OUTLIER -60.78 140.14 93.26 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.84 -179.817 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.864 ' HD2' HD23 ' S' ' 61' ' ' LEU . 13.0 Cg_exo -37.21 136.95 0.32 Allowed 'Trans proline' 0 C--N 1.348 0.549 0 C-N-CA 123.128 2.552 . . . . 0.0 112.537 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.403 ' HA ' ' CD ' ' S' ' 66' ' ' GLN . . . -62.03 -17.48 57.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.097 -179.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.526 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.09 -40.54 12.21 Favored 'General case' 0 N--CA 1.441 -0.894 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.591 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.02 -44.61 96.34 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.523 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.459 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.4 pt20 -60.48 -42.16 95.68 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.843 HG22 ' CZ ' ' S' ' 76' ' ' PHE . 2.6 t -64.13 -41.09 91.35 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.507 0 N-CA-C 108.574 -0.898 . . . . 0.0 108.574 177.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.68 ' O ' ' HB2' ' S' ' 72' ' ' ALA . 58.8 t30 -42.92 -40.65 3.04 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.473 ' HB3' HD23 ' S' ' 51' ' ' LEU . 4.6 mm? -80.57 -50.2 10.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.787 -179.296 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.814 ' CG ' HD21 ' S' ' 51' ' ' LEU . 11.4 mttt -50.28 -59.85 3.56 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.429 -179.061 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.448 ' HG3' ' CE1' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -68.21 -30.71 69.85 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 111.624 0.231 . . . . 0.0 111.624 -179.454 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . 0.68 ' HB2' ' O ' ' S' ' 68' ' ' ASN . . . -59.26 -32.88 70.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.932 0.396 . . . . 0.0 110.967 179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -104.95 5.0 32.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.265 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.43 29.15 66.45 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.336 -179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 1.079 HD23 HD13 ' S' ' 25' ' ' LEU . 12.4 mt -78.35 -87.44 0.06 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.834 0.35 . . . . 0.0 110.843 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.843 ' CZ ' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.282 -0.866 . . . . 0.0 111.257 -179.336 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.817 0.341 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.54 -26.73 62.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.03 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -55.58 -47.59 76.22 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.243 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.92 160.1 28.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 7.5 mt -75.54 150.92 38.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.868 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 18.7 p -138.83 122.8 17.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.861 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -76.23 146.88 38.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.828 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . 0.475 HG23 ' O ' ' S' ' 17' ' ' THR . 10.4 t -130.15 115.33 16.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.715 HD13 ' OG1' ' S' ' 43' ' ' THR . 0.5 OUTLIER -89.82 158.26 2.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.873 -179.888 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.552 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 3.0 m-30 -89.44 138.23 28.59 Favored Pre-proline 0 CA--C 1.532 0.262 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.415 ' O ' HD23 ' S' ' 24' ' ' LEU . 10.6 Cg_endo -54.18 112.94 1.13 Allowed 'Trans proline' 0 C--N 1.348 0.535 0 C-N-CA 122.957 2.438 . . . . 0.0 113.145 -178.691 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.518 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.2 OUTLIER -42.28 -41.96 2.95 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.687 -0.688 . . . . 0.0 112.363 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.7 -50.45 72.12 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.893 0.378 . . . . 0.0 111.399 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.551 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 1.0 OUTLIER -61.75 -36.02 79.79 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.163 -179.273 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.871 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -88.2 -19.5 26.79 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.979 0.362 . . . . 0.0 111.979 -179.11 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.789 HD13 ' CD2' ' S' ' 75' ' ' LEU . 17.3 tp -84.0 -6.16 59.36 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.56 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 174.22 33.7 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.551 ' HG2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.64 150.66 28.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 C-N-CA 120.596 -0.441 . . . . 0.0 111.398 179.116 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.483 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 9.4 Cg_endo -51.77 78.82 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.872 2.381 . . . . 0.0 111.831 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 1.07 HD22 HG21 ' S' ' 33' ' ' VAL . 0.2 OUTLIER -75.58 158.95 82.61 Favored Pre-proline 0 C--N 1.327 -0.387 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.197 -179.88 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.552 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.7 Cg_endo -60.4 -161.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.873 2.382 . . . . 0.0 111.47 179.372 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -101.22 -14.36 17.73 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 111.958 0.355 . . . . 0.0 111.958 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.5 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.42 -23.17 12.5 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 119.44 -1.362 . . . . 0.0 110.105 177.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 1.07 HG21 HD22 ' S' ' 29' ' ' LEU . 31.0 m -89.32 127.94 41.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.927 -0.636 . . . . 0.0 110.779 178.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' S' ' 36' ' ' LEU . 0.5 OUTLIER -99.54 108.37 50.35 Favored Pre-proline 0 C--N 1.321 -0.645 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 177.647 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.456 ' HD2' ' HA ' ' S' ' 34' ' ' ASP . 1.3 Cg_endo -43.89 -36.17 7.78 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.714 2.276 . . . . 0.0 113.36 -177.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.768 HD21 ' HE2' ' S' ' 37' ' ' LYS . 0.0 OUTLIER -73.05 -8.82 57.46 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -179.514 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.768 ' HE2' HD21 ' S' ' 36' ' ' LEU . 0.4 OUTLIER -157.53 101.54 1.85 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.011 0.434 . . . . 0.0 110.993 179.294 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.894 HD22 ' OH ' ' S' ' 41' ' ' TYR . 10.2 mt -87.84 -55.4 3.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.885 -179.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.749 ' H ' ' HE3' ' S' ' 70' ' ' LYS . 18.4 pt-20 -38.95 -28.34 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.293 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.665 HG21 ' HD3' ' S' ' 37' ' ' LYS . 1.0 OUTLIER -64.06 -33.11 60.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 -178.527 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.894 ' OH ' HD22 ' S' ' 38' ' ' LEU . 34.6 p90 -103.61 36.44 2.3 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 -178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.718 HD21 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.6 126.32 22.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.714 0.292 . . . . 0.0 110.715 178.239 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.715 ' OG1' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -61.04 -172.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.076 179.255 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.472 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.6 p30 -64.58 -36.82 85.48 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.201 179.64 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -67.58 -52.87 33.47 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 178.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.473 ' HA ' HD22 ' S' ' 21' ' ' LEU . 21.0 t0 -63.73 -28.92 70.22 Favored 'General case' 0 N--CA 1.445 -0.685 0 N-CA-C 108.532 -0.914 . . . . 0.0 108.532 177.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.705 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -69.49 -49.91 50.3 Favored 'General case' 0 CA--C 1.513 -0.451 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.202 178.004 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 9.9 mt-10 -58.72 -41.3 86.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.941 -1.027 . . . . 0.0 110.873 -179.524 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -82.88 -11.13 58.45 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.402 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' S' ' 46' ' ' ASP . . . -93.68 -61.17 1.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.819 0.342 . . . . 0.0 111.448 -179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.827 HD22 ' CE2' ' S' ' 58' ' ' TYR . 4.7 mp -124.05 0.09 8.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.458 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.409 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 13.0 m-20 69.12 13.23 8.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.741 -0.209 . . . . 0.0 110.736 -178.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.524 ' HG2' ' CD1' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -115.02 -159.81 0.72 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.746 -0.206 . . . . 0.0 110.608 179.346 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.402 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 6.6 p -133.07 173.7 11.14 Favored 'General case' 0 CA--C 1.522 -0.103 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.975 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.459 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 3.2 ttt180 -76.75 -32.94 58.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.036 179.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -89.05 -8.55 53.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.648 -0.705 . . . . 0.0 111.818 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.448 ' CG ' HD12 ' S' ' 61' ' ' LEU . 0.6 OUTLIER -93.88 -55.8 3.1 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.906 -0.775 . . . . 0.0 108.906 179.77 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.827 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.3 m-30 -63.4 -30.29 71.44 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.301 178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.5 OUTLIER -53.87 -26.68 25.93 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.263 179.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -116.73 -32.57 5.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.839 0.352 . . . . 0.0 111.355 -179.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.448 HD12 ' CG ' ' S' ' 57' ' ' GLU . 19.0 mt -60.75 161.72 14.19 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.444 ' HD2' ' CD2' ' S' ' 61' ' ' LEU . 1.1 Cg_endo -45.99 151.49 1.45 Allowed 'Trans proline' 0 N--CA 1.462 -0.324 0 C-N-CA 123.02 2.48 . . . . 0.0 112.269 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.756 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -85.59 -18.15 34.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.89 -179.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.506 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.25 -42.24 11.11 Favored 'General case' 0 N--CA 1.441 -0.877 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 179.585 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' S' ' 62' ' ' PRO . 0.1 OUTLIER -61.43 -44.94 96.25 Favored 'General case' 0 N--CA 1.452 -0.367 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 179.476 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.467 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.7 pt20 -63.14 -35.69 81.12 Favored 'General case' 0 N--CA 1.449 -0.522 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.946 HG22 ' CE1' ' S' ' 76' ' ' PHE . 6.2 t -66.35 -42.12 90.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 176.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.498 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 39.2 t30 -46.43 -32.52 3.32 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.502 -0.772 . . . . 0.0 111.441 179.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.569 ' CB ' HD23 ' S' ' 51' ' ' LEU . 2.8 mm? -83.71 -46.82 11.85 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.16 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.798 ' CD ' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -58.65 -53.57 56.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 120.904 0.383 . . . . 0.0 110.595 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -60.39 -40.14 89.83 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.755 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.29 81.29 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.122 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -89.8 -25.21 21.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.93 0.395 . . . . 0.0 110.685 179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 109.87 1.32 30.36 Favored Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.385 179.441 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.789 ' CD2' HD13 ' S' ' 25' ' ' LEU . 20.3 mt -60.62 -86.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 117.308 0.554 . . . . 0.0 109.904 179.406 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.946 ' CE1' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.316 -0.849 . . . . 0.0 111.375 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 9.7 ttm . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.881 0.372 . . . . 0.0 111.236 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . 0.464 HD13 ' HA ' ' S' ' 11' ' ' LEU . 4.0 mm? -93.0 -44.32 8.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.86 -30.98 71.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.13 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 8.6 mmtt -99.56 164.84 11.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 19.3 mt -105.79 132.65 51.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 24.1 p -103.34 125.23 49.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 20.9 mttp -84.15 133.07 34.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 87.3 m -99.92 110.91 23.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.814 ' HB ' HG23 ' S' ' 43' ' ' THR . 0.3 OUTLIER -96.85 167.65 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.59 ' HD2' HG23 ' S' ' 33' ' ' VAL . 7.7 m-30 -89.71 124.93 62.73 Favored Pre-proline 0 CA--C 1.534 0.348 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.2 Cg_endo -45.06 137.94 9.44 Favored 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.266 2.644 . . . . 0.0 113.614 -178.446 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.445 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 0.2 OUTLIER -48.78 -47.03 42.3 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.563 -0.744 . . . . 0.0 111.749 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -50.66 73.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.043 0.449 . . . . 0.0 110.864 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.824 ' HA ' ' HD2' ' S' ' 27' ' ' ARG . 0.2 OUTLIER -47.58 -23.79 0.74 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.636 -0.711 . . . . 0.0 112.331 179.908 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.678 ' HB2' HD23 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -115.36 -28.95 6.71 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.011 0.434 . . . . 0.0 111.512 -179.331 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.672 HD13 HD23 ' S' ' 75' ' ' LEU . 18.8 tp -70.42 -26.29 63.61 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.846 -178.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 167.02 45.8 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.824 ' HD2' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.44 140.16 13.68 Favored Pre-proline 0 C--N 1.327 -0.405 0 CA-C-O 119.605 -0.236 . . . . 0.0 110.408 179.576 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.617 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 88.5 Cg_exo -19.53 78.64 0.0 OUTLIER 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.887 3.058 . . . . 0.0 113.272 178.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.686 HD12 ' O ' ' S' ' 30' ' ' PRO . 2.1 pp -73.19 148.75 88.97 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 114.06 -1.427 . . . . 0.0 111.694 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.686 ' O ' HD12 ' S' ' 29' ' ' LEU . 39.0 Cg_endo -85.52 -158.16 0.08 OUTLIER 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 123.627 2.885 . . . . 0.0 112.261 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -97.36 -37.02 10.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.318 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.423 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -52.64 -22.93 12.54 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 119.526 -1.321 . . . . 0.0 110.19 177.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.765 HG22 ' CD1' ' S' ' 41' ' ' TYR . 0.9 OUTLIER -86.97 108.3 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.292 178.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.56 ' HB2' HD21 ' S' ' 36' ' ' LEU . 16.1 m-20 -92.53 121.26 66.61 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.334 179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.423 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 28.6 Cg_endo -62.87 -20.91 72.55 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.641 2.227 . . . . 0.0 114.319 -178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.597 HD22 ' N ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -63.17 -15.68 57.66 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.534 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.528 ' HG3' HG12 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -176.85 121.83 0.14 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 179.518 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.799 HD13 ' CA ' ' S' ' 75' ' ' LEU . 1.8 mp -87.71 -41.22 13.5 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.678 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.9 OUTLIER -39.91 -27.95 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.396 0 N-CA-C 112.671 0.619 . . . . 0.0 112.671 -179.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.528 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.6 pt -67.54 -30.8 50.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -178.574 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.797 ' CZ ' ' HA ' ' S' ' 38' ' ' LEU . 3.9 p90 -111.45 41.13 1.94 Allowed 'General case' 0 N--CA 1.463 0.219 0 N-CA-C 113.457 0.91 . . . . 0.0 113.457 -178.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.3 OUTLIER -138.85 115.85 10.91 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.712 0.291 . . . . 0.0 110.294 177.62 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.814 HG23 ' HB ' ' S' ' 18' ' ' ILE . 13.3 p -60.25 -171.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.181 179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.429 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.3 p-10 -64.25 -36.56 84.49 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 179.679 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -68.42 -47.88 66.09 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.427 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 21.5 t0 -66.49 -31.88 72.88 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 178.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.66 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -69.24 -46.43 67.35 Favored 'General case' 0 CA--C 1.512 -0.49 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.746 177.869 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -52.4 -37.39 56.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.142 -0.935 . . . . 0.0 110.581 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.02 -25.68 19.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.741 179.519 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -75.77 -51.55 12.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.817 HD21 ' HG3' ' S' ' 70' ' ' LYS . 1.4 mp -141.51 8.99 2.0 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -179.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 64.59 14.8 9.25 Favored 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 111.544 0.201 . . . . 0.0 111.544 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.586 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -113.45 -161.35 0.76 Allowed 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 110.545 -0.168 . . . . 0.0 110.545 179.599 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.412 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.7 OUTLIER -133.94 152.22 51.77 Favored 'General case' 0 CA--C 1.519 -0.219 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.512 179.824 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.468 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 6.9 tpt180 -58.63 -24.41 61.01 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.704 -0.398 . . . . 0.0 109.984 178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -89.31 -9.49 50.31 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.352 179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.664 ' HG3' HD12 ' S' ' 61' ' ' LEU . 3.9 tp10 -95.18 -55.82 2.94 Favored 'General case' 0 CA--C 1.512 -0.493 0 N-CA-C 108.482 -0.933 . . . . 0.0 108.482 179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.784 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -61.27 -29.16 69.68 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.75 -1.114 . . . . 0.0 109.005 177.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.457 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.9 m-20 -55.23 -24.0 25.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.163 179.547 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -112.78 -31.34 6.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.552 -0.294 . . . . 0.0 111.617 -179.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.664 HD12 ' HG3' ' S' ' 57' ' ' GLU . 0.5 OUTLIER -60.76 167.01 3.78 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.752 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.508 ' CD ' HD23 ' S' ' 61' ' ' LEU . 50.9 Cg_exo -52.69 162.6 2.33 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.394 2.063 . . . . 0.0 111.924 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.846 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.56 -24.42 24.03 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.517 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.54 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.57 -43.51 10.15 Favored 'General case' 0 N--CA 1.44 -0.933 0 N-CA-C 109.116 -0.698 . . . . 0.0 109.116 179.426 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.441 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -60.75 -40.77 93.68 Favored 'General case' 0 CA--C 1.515 -0.366 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.543 179.797 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.504 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.81 -44.87 95.02 Favored 'General case' 0 N--CA 1.45 -0.47 0 N-CA-C 107.959 -1.126 . . . . 0.0 107.959 177.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.908 HG13 ' OXT' ' S' ' 76' ' ' PHE . 74.6 t -63.73 -38.33 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 177.311 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.54 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -41.79 -56.84 2.55 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.879 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.649 ' HB3' HD23 ' S' ' 51' ' ' LEU . 3.5 tp -72.42 -21.11 61.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.389 -179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.874 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -66.96 -54.74 18.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.044 0.449 . . . . 0.0 110.204 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.431 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 6.4 mttt -59.28 -33.22 70.8 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.268 179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -65.11 -33.91 77.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.514 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.89 -14.47 34.18 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.431 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.43 -10.99 28.44 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.625 -0.797 . . . . 0.0 113.586 179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.799 ' CA ' HD13 ' S' ' 38' ' ' LEU . 0.1 OUTLIER -81.26 -71.92 0.45 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 178.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.908 ' OXT' HG13 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.263 -0.875 . . . . 0.0 111.213 179.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.858 0.361 . . . . 0.0 111.183 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -74.89 -45.99 39.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.02 -31.0 64.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 5.9 mmpt? -75.27 124.25 26.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 25.2 mt -116.37 126.8 53.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.823 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 t -135.73 125.62 25.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.037 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.94 115.75 13.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -126.89 158.18 37.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.968 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.695 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.5 mp -89.44 133.53 31.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.312 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.627 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 10.3 m-85 -97.58 136.64 21.18 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.521 . . . . 0.0 109.865 179.053 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.52 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.4 Cg_endo -48.1 119.26 3.78 Favored 'Trans proline' 0 C--N 1.347 0.482 0 C-N-CA 122.845 2.364 . . . . 0.0 112.549 -179.215 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.662 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -46.83 -41.01 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.113 -179.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.86 -57.23 11.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.303 0.573 . . . . 0.0 110.813 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.4 OUTLIER -49.2 -19.23 0.43 Allowed 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.252 -0.885 . . . . 0.0 112.38 179.72 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.859 HD13 ' OH ' ' S' ' 41' ' ' TYR . 0.5 OUTLIER -115.09 -25.12 8.24 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.861 0.363 . . . . 0.0 111.729 -178.837 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.558 ' O ' ' HB2' ' S' ' 26' ' ' ALA . 18.5 tp -68.34 -9.5 48.42 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.356 -179.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.558 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.12 42.2 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.881 0.372 . . . . 0.0 111.269 179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.72 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.7 tmt_? -150.63 143.45 16.41 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.584 -179.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.72 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 91.7 Cg_exo -42.13 83.12 0.01 OUTLIER 'Trans proline' 0 C--N 1.353 0.796 0 C-N-CA 122.425 2.083 . . . . 0.0 112.04 178.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.861 HD13 ' CG1' ' S' ' 33' ' ' VAL . 3.1 pp -79.43 155.76 76.3 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.589 -178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.627 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 65.8 Cg_endo -69.23 -162.68 0.09 OUTLIER 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 123.773 2.982 . . . . 0.0 113.262 -179.573 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -97.36 -37.79 9.89 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.456 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.76 -28.08 5.09 Favored Glycine 0 C--N 1.335 0.491 0 N-CA-C 109.605 -1.398 . . . . 0.0 109.605 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.861 ' CG1' HD13 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -75.48 109.11 8.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 CA-C-N 114.5 -0.85 . . . . 0.0 109.094 177.504 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.503 ' HB3' ' HG2' ' S' ' 37' ' ' LYS . 15.0 m-20 -86.76 141.99 34.17 Favored Pre-proline 0 C--N 1.324 -0.54 0 C-N-CA 120.713 -0.395 . . . . 0.0 110.809 -179.315 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.78 -43.31 0.08 OUTLIER 'Trans proline' 0 N--CA 1.462 -0.372 0 C-N-CA 122.526 2.151 . . . . 0.0 112.73 -179.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.608 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.3 OUTLIER -78.63 -2.75 40.56 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.82 0.343 . . . . 0.0 111.607 -179.909 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.608 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -158.47 87.86 0.91 Allowed 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 108.979 -0.748 . . . . 0.0 108.979 179.363 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.712 HD13 ' CB ' ' S' ' 75' ' ' LEU . 1.9 mp -87.3 -53.05 5.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.825 -177.691 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.499 ' HB3' HD11 ' S' ' 51' ' ' LEU . 0.5 OUTLIER -41.12 -29.65 0.13 Allowed 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.351 0.5 . . . . 0.0 112.351 -179.187 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.558 ' C ' HD13 ' S' ' 40' ' ' ILE . 0.0 OUTLIER -67.77 -29.66 45.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.124 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.859 ' OH ' HD13 ' S' ' 24' ' ' LEU . 0.1 OUTLIER -86.17 9.75 16.57 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -178.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.822 HD23 ' CE1' ' S' ' 41' ' ' TYR . 0.3 OUTLIER -127.37 127.62 44.51 Favored 'General case' 0 CA--C 1.519 -0.224 0 C-N-CA 120.391 -0.523 . . . . 0.0 112.247 -179.167 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.702 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.3 OUTLIER -64.09 -170.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.666 178.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.518 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 32.0 p-10 -67.43 -36.18 80.72 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 122.877 0.471 . . . . 0.0 110.354 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -64.92 -53.42 46.73 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 178.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.403 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 7.3 t0 -64.86 -35.07 79.94 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.499 -0.926 . . . . 0.0 108.499 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.702 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.26 -46.07 90.44 Favored 'General case' 0 CA--C 1.515 -0.37 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.269 177.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' S' ' 52' ' ' ASP . 3.7 mt-10 -56.74 -51.67 67.97 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.964 -1.016 . . . . 0.0 111.729 -179.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 37.9 t80 -79.83 -12.41 59.76 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 111.976 0.362 . . . . 0.0 111.976 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.13 -60.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 112.004 0.372 . . . . 0.0 112.004 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.813 HD11 ' HG3' ' S' ' 70' ' ' LYS . 5.6 mt -110.9 -6.68 14.67 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -178.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.409 ' HA ' ' O ' ' S' ' 48' ' ' GLU . 14.8 m-20 67.94 13.45 9.16 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.58 0.229 . . . . 0.0 111.076 -179.317 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.662 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -124.26 -160.14 0.91 Allowed 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 110.246 -0.279 . . . . 0.0 110.246 179.241 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -133.48 155.11 50.16 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.61 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.586 HH22 HD11 ' S' ' 18' ' ' ILE . 28.5 ttm180 -59.39 -26.64 65.28 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 178.59 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -92.06 -9.08 44.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.242 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.7 ' OE2' HD11 ' S' ' 61' ' ' LEU . 0.0 OUTLIER -92.0 -52.66 4.61 Favored 'General case' 0 CA--C 1.511 -0.519 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 179.449 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.73 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -67.44 -30.48 70.23 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 114.536 -1.211 . . . . 0.0 109.129 177.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -50.92 -31.81 18.77 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.457 179.793 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -107.83 -32.05 7.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.595 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.7 HD11 ' OE2' ' S' ' 57' ' ' GLU . 18.6 mt -60.78 162.13 13.02 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.433 ' HG2' ' CB ' ' S' ' 65' ' ' LYS . 3.7 Cg_endo -48.27 159.22 0.77 Allowed 'Trans proline' 0 N--CA 1.463 -0.293 0 C-N-CA 122.943 2.428 . . . . 0.0 111.906 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.684 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -87.92 -22.46 24.35 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 -179.139 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.515 ' CD2' ' C ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -90.21 -46.15 8.62 Favored 'General case' 0 N--CA 1.441 -0.892 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.772 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.485 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.1 OUTLIER -62.01 -42.21 98.91 Favored 'General case' 0 CA--C 1.515 -0.371 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.75 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.524 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.7 pt20 -62.68 -39.14 93.04 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 108.247 -1.019 . . . . 0.0 108.247 177.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.684 HG23 ' O ' ' S' ' 63' ' ' ALA . 28.3 t -69.63 -39.94 78.85 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 177.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.511 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 59.0 t30 -41.13 -52.98 3.2 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.623 179.5 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.731 HD23 ' O ' ' S' ' 51' ' ' LEU . 7.6 tp -75.55 -26.1 57.7 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.266 -179.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.813 ' HG3' HD11 ' S' ' 51' ' ' LEU . 0.0 OUTLIER -62.58 -52.3 63.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.072 0.463 . . . . 0.0 109.782 179.798 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.473 ' CG ' ' HB2' ' S' ' 76' ' ' PHE . 83.5 mttt -55.72 -48.19 75.61 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.605 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -51.84 -25.99 8.99 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.406 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . 0.538 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.0 OUTLIER -89.79 -19.62 24.49 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.09 -6.81 28.98 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.929 -0.653 . . . . 0.0 112.868 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.712 ' CB ' HD13 ' S' ' 38' ' ' LEU . 0.7 OUTLIER -90.81 -68.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.723 0.297 . . . . 0.0 110.277 179.421 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.692 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-O 118.137 -0.935 . . . . 0.0 110.493 -179.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 27.7 mtm . . . . . 0 N--CA 1.487 1.39 0 CA-C-O 120.88 0.371 . . . . 0.0 111.216 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -71.96 -30.12 64.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.922 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.08 -44.78 83.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.142 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . 0.64 ' O ' HD13 ' S' ' 14' ' ' LEU . 32.6 mtmt -110.81 132.54 54.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.95 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . 0.661 HD22 ' N ' ' S' ' 14' ' ' LEU . 0.3 OUTLIER -124.43 121.32 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.816 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 24.6 m -119.95 139.59 52.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.912 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -79.45 157.45 27.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.799 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 9.1 t -132.37 131.8 42.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.948 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.644 HG23 ' HA ' ' S' ' 42' ' ' LEU . 1.1 mp -89.35 142.06 13.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.986 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.603 ' CD2' HG23 ' S' ' 33' ' ' VAL . 4.6 m-30 -89.94 141.62 28.25 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.164 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -45.38 108.03 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 123.148 2.565 . . . . 0.0 113.049 -178.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.542 ' O ' ' HG ' ' S' ' 24' ' ' LEU . 3.1 pp -38.31 -35.71 0.19 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.021 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . 0.412 ' O ' ' HB3' ' S' ' 27' ' ' ARG . . . -58.87 -47.22 85.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.61 ' O ' HD12 ' S' ' 29' ' ' LEU . 1.0 OUTLIER -53.98 -44.39 70.78 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.09 179.568 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.655 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -84.48 -15.1 47.2 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.334 -179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.889 HD13 HD23 ' S' ' 75' ' ' LEU . 11.4 tp -105.33 38.83 1.86 Allowed 'General case' 0 N--CA 1.447 -0.611 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.646 ' HB3' ' O ' ' S' ' 25' ' ' LEU . . . 96.46 46.34 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 177.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.568 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.87 134.5 9.08 Favored Pre-proline 0 C--N 1.327 -0.409 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 178.192 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.568 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 56.5 Cg_exo -30.77 85.43 0.0 OUTLIER 'Trans proline' 0 C--N 1.352 0.724 0 C-N-CA 123.237 2.625 . . . . 0.0 112.925 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.61 HD12 ' O ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -81.44 159.13 67.89 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 115.5 -0.773 . . . . 0.0 112.116 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.565 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 62.9 Cg_endo -80.03 -159.03 0.1 OUTLIER 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.053 2.502 . . . . 0.0 111.839 179.549 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 24.6 tp10 -92.86 -40.98 10.32 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.698 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.481 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -49.18 -26.68 6.6 Favored Glycine 0 C--N 1.332 0.321 0 C-N-CA 119.62 -1.276 . . . . 0.0 110.44 178.18 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.857 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -80.65 108.79 14.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 114.893 -0.654 . . . . 0.0 109.462 178.358 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.414 ' O ' ' CD2' ' S' ' 38' ' ' LEU . 1.2 m-20 -84.92 135.48 39.82 Favored Pre-proline 0 C--N 1.327 -0.39 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . . . . . . . . . 89.5 Cg_endo -75.23 -1.28 11.07 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.524 2.149 . . . . 0.0 113.642 -178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.678 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -121.11 16.13 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.799 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.644 ' HB2' HD12 ' S' ' 40' ' ' ILE . 19.5 pttt -172.02 82.92 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.133 0.492 . . . . 0.0 111.036 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 1.017 HD22 ' OH ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -87.04 -49.29 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.535 -179.672 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.753 ' HA ' HD11 ' S' ' 42' ' ' LEU . 2.9 pt-20 -45.01 -28.23 0.66 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.3 0.572 . . . . 0.0 110.188 178.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.644 HD12 ' HB2' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -63.57 -43.91 98.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.231 179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 1.017 ' OH ' HD22 ' S' ' 38' ' ' LEU . 3.9 p90 -100.33 36.48 1.87 Allowed 'General case' 0 CA--C 1.529 0.161 0 N-CA-C 113.624 0.972 . . . . 0.0 113.624 -177.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.753 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.4 OUTLIER -138.26 129.18 26.94 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.479 -0.489 . . . . 0.0 111.605 178.41 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.712 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -65.62 -174.08 0.19 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.847 178.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.494 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 7.1 p-10 -63.89 -34.95 79.11 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.458 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -66.97 -53.97 26.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.44 ' HB3' ' HB2' ' S' ' 42' ' ' LEU . 51.1 t0 -64.07 -32.65 74.29 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 177.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.751 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -65.53 -48.24 73.15 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.302 178.075 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.52 -36.98 67.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.164 -0.925 . . . . 0.0 110.674 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -87.31 -16.12 36.02 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.255 179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.661 ' O ' HD11 ' S' ' 75' ' ' LEU . . . -83.52 -61.22 1.89 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.711 0.291 . . . . 0.0 111.338 -179.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.926 HD21 ' CD ' ' S' ' 70' ' ' LYS . 1.6 mp -132.49 14.69 4.51 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.503 -0.317 . . . . 0.0 111.388 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 63.41 13.91 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.473 0.178 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.625 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -114.9 -167.18 1.19 Allowed 'General case' 0 N--CA 1.462 0.147 0 N-CA-C 110.14 -0.319 . . . . 0.0 110.14 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.9 p -133.47 160.97 35.83 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.771 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.446 ' CA ' ' CE2' ' S' ' 47' ' ' PHE . 9.1 ttt180 -60.8 -26.62 67.42 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 178.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -92.25 -9.03 43.61 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.44 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.51 -48.87 6.17 Favored 'General case' 0 CA--C 1.513 -0.466 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.87 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.75 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.4 m-30 -72.68 -29.67 63.6 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.736 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.439 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.3 OUTLIER -48.8 -22.86 0.89 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.651 179.733 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -109.74 -37.08 5.76 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.81 0.338 . . . . 0.0 111.252 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.577 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.97 162.17 13.47 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.505 179.729 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.577 ' HD2' HD23 ' S' ' 61' ' ' LEU . 49.0 Cg_exo -54.3 164.15 3.01 Favored 'Trans proline' 0 C--N 1.343 0.283 0 C-N-CA 122.191 1.927 . . . . 0.0 111.697 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.934 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -84.28 -24.14 30.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.865 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.44 -41.04 11.68 Favored 'General case' 0 N--CA 1.44 -0.948 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 179.511 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.509 ' HB2' ' HB2' ' S' ' 62' ' ' PRO . 0.0 OUTLIER -58.79 -40.32 83.68 Favored 'General case' 0 CA--C 1.515 -0.401 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 179.285 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.465 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.1 pt20 -64.79 -42.34 95.13 Favored 'General case' 0 N--CA 1.449 -0.508 0 N-CA-C 107.792 -1.188 . . . . 0.0 107.792 177.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 1.009 HG22 ' CE2' ' S' ' 76' ' ' PHE . 62.5 t -62.46 -40.23 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' S' ' 64' ' ' TRP . 51.1 t30 -40.85 -55.04 2.56 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.617 -0.72 . . . . 0.0 112.106 179.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.789 HD23 ' O ' ' S' ' 51' ' ' LEU . 6.4 tp -69.46 -25.62 64.17 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 120.759 0.314 . . . . 0.0 110.874 -179.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.926 ' CD ' HD21 ' S' ' 51' ' ' LEU . 2.3 tptm -61.06 -68.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.896 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.709 ' HE3' HG12 ' S' ' 67' ' ' VAL . 28.1 mttt -47.24 -34.22 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.525 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.06 -31.41 65.18 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.617 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -99.22 -25.56 14.47 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.686 179.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 99.86 20.35 16.89 Favored Glycine 0 CA--C 1.519 0.342 0 C-N-CA 120.827 -0.701 . . . . 0.0 113.614 179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.889 HD23 HD13 ' S' ' 25' ' ' LEU . 1.0 OUTLIER -79.42 -81.67 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 117.288 0.544 . . . . 0.0 110.506 179.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 1.009 ' CE2' HG22 ' S' ' 67' ' ' VAL . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.228 -0.891 . . . . 0.0 112.265 -179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 10.8 mtm . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.88 0.372 . . . . 0.0 111.175 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . 0.5 HD22 ' N ' ' S' ' 11' ' ' LEU . 3.4 mm? -71.59 -42.46 67.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.999 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.17 -48.98 3.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.957 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.23 157.86 32.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 3.4 mp -112.59 126.53 55.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.847 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 45.1 m -99.74 157.62 16.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.971 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -86.15 133.6 33.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 11.9 t -100.96 122.37 43.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.806 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.529 HG12 ' HB ' ' S' ' 43' ' ' THR . 1.5 mp -89.57 147.3 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.238 -179.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.612 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 2.9 m-85 -97.82 138.56 21.02 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.013 179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.449 ' O ' HD23 ' S' ' 24' ' ' LEU . 9.7 Cg_endo -51.94 115.06 1.9 Allowed 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 123.058 2.505 . . . . 0.0 113.268 -178.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.559 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.3 OUTLIER -42.29 -41.06 2.66 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.417 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -52.35 66.14 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.863 0.363 . . . . 0.0 111.511 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.655 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.1 OUTLIER -61.32 -31.34 71.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.918 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -90.93 -22.89 20.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.785 0.326 . . . . 0.0 111.842 -179.254 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.613 HD11 ' O ' ' S' ' 73' ' ' LYS . 22.3 tp -69.35 -18.08 63.76 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 112.488 0.551 . . . . 0.0 112.488 -178.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.597 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 45.47 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.636 0 N-CA-C 113.161 0.8 . . . . 0.0 113.161 179.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.732 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.87 154.23 34.32 Favored Pre-proline 0 C--N 1.327 -0.396 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.961 179.066 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.517 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 1.3 Cg_endo -43.67 71.68 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 123.225 2.617 . . . . 0.0 111.882 178.524 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.881 HD13 ' CG1' ' S' ' 33' ' ' VAL . 2.2 pp -71.56 153.79 93.48 Favored Pre-proline 0 C--N 1.323 -0.561 0 CA-C-N 114.622 -1.172 . . . . 0.0 112.303 -179.079 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.612 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 27.5 Cg_endo -59.92 -163.03 0.03 OUTLIER 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 123.96 3.107 . . . . 0.0 113.267 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . 0.416 ' C ' ' N ' ' S' ' 33' ' ' VAL . 3.5 tt0 -101.08 -37.81 8.43 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.64 -179.673 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.41 -27.41 4.1 Favored Glycine 0 C--N 1.336 0.576 0 N-CA-C 109.191 -1.564 . . . . 0.0 109.191 177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.892 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.2 t -74.95 117.55 19.34 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.634 0 CA-C-N 114.146 -1.027 . . . . 0.0 109.139 177.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.451 ' HB3' HD21 ' S' ' 36' ' ' LEU . 0.6 OUTLIER -95.07 128.57 38.45 Favored Pre-proline 0 C--N 1.324 -0.517 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.853 -179.565 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.438 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 61.1 Cg_endo -73.0 -21.53 20.63 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.507 2.138 . . . . 0.0 113.287 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.641 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -75.37 -14.41 60.47 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.741 0.305 . . . . 0.0 111.659 -179.564 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.513 ' CD ' HD23 ' S' ' 36' ' ' LEU . 0.3 OUTLIER -173.75 114.41 0.21 Allowed 'General case' 0 C--N 1.333 -0.146 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' S' ' 41' ' ' TYR . 3.2 mt -87.42 -38.22 16.33 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 -177.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.729 ' HA ' HD21 ' S' ' 42' ' ' LEU . 2.5 pt-20 -43.49 -25.02 0.13 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.437 ' CG2' ' HG3' ' S' ' 37' ' ' LYS . 2.0 pp -69.92 -27.79 34.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -178.486 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.918 ' HE1' HD13 ' S' ' 24' ' ' LEU . 22.8 p90 -109.24 39.71 2.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.742 HD13 ' HA ' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.61 115.52 10.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.796 0.331 . . . . 0.0 110.96 178.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.529 ' HB ' HG12 ' S' ' 18' ' ' ILE . 1.8 t -60.68 154.8 20.54 Favored 'General case' 0 C--O 1.222 -0.355 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.753 179.59 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.442 ' O ' ' N ' ' S' ' 48' ' ' GLU . 4.0 p-10 -33.9 -35.23 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 123.698 0.799 . . . . 0.0 112.295 -179.659 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 36.7 mm-40 -66.99 -52.99 35.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 178.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.487 ' N ' ' O ' ' S' ' 43' ' ' THR . 58.6 t0 -68.59 -33.55 74.25 Favored 'General case' 0 N--CA 1.446 -0.641 0 CA-C-N 115.073 -0.967 . . . . 0.0 108.777 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.742 ' HA ' HD13 ' S' ' 42' ' ' LEU . 0.1 OUTLIER -66.21 -42.34 88.91 Favored 'General case' 0 CA--C 1.515 -0.372 0 CA-C-N 114.785 -1.098 . . . . 0.0 109.544 178.536 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' S' ' 44' ' ' ASP . 4.6 mt-10 -69.46 -35.97 76.13 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.349 -0.842 . . . . 0.0 110.821 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -84.71 -14.26 48.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.334 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.771 ' HB1' HD11 ' S' ' 75' ' ' LEU . . . -90.36 -61.21 1.73 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.683 0.278 . . . . 0.0 111.388 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.922 HD22 ' CE2' ' S' ' 58' ' ' TYR . 3.5 mp -125.81 5.55 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.416 -0.357 . . . . 0.0 111.441 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 64.97 13.47 8.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.465 0.174 . . . . 0.0 110.676 -178.728 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.501 ' HG2' ' CE1' ' S' ' 58' ' ' TYR . 3.4 tpp -112.67 -169.25 1.44 Allowed 'General case' 0 N--CA 1.461 0.121 0 N-CA-C 110.4 -0.222 . . . . 0.0 110.4 179.227 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -133.11 166.6 22.05 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.432 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 21.9 ttt180 -65.8 -31.43 72.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.347 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.95 -8.87 56.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.901 -179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.404 ' HG2' ' HG3' ' S' ' 53' ' ' MET . 1.2 tp10 -95.3 -57.64 2.35 Favored 'General case' 0 CA--C 1.51 -0.584 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.922 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.2 m-30 -62.04 -28.88 69.9 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.568 178.333 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.432 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -50.68 -25.81 4.73 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.306 179.601 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -113.93 -33.37 5.77 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.707 0.289 . . . . 0.0 111.623 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.457 ' HB2' ' HA ' ' S' ' 58' ' ' TYR . 9.2 mt -60.81 165.06 6.38 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.811 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.457 ' HB2' ' HB2' ' S' ' 65' ' ' LYS . 62.4 Cg_exo -50.17 157.55 2.93 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.522 2.148 . . . . 0.0 112.174 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.814 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -86.15 -19.35 30.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.764 -179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.521 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.9 -46.07 8.4 Favored 'General case' 0 N--CA 1.441 -0.885 0 N-CA-C 109.23 -0.656 . . . . 0.0 109.23 179.369 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.487 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -58.19 -42.71 86.71 Favored 'General case' 0 CA--C 1.515 -0.393 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.501 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -64.16 -44.17 92.91 Favored 'General case' 0 N--CA 1.446 -0.636 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 177.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.814 HG23 ' O ' ' S' ' 63' ' ' ALA . 50.6 t -60.88 -39.17 81.07 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.521 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 51.7 t30 -43.56 -57.57 3.07 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.451 178.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -72.58 -13.54 61.42 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.718 -179.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.893 ' CG ' HD21 ' S' ' 51' ' ' LEU . 0.1 OUTLIER -75.43 -49.1 19.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.844 0.354 . . . . 0.0 110.297 -179.604 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.41 ' HG2' ' HA ' ' S' ' 76' ' ' PHE . 54.9 mttt -61.53 -39.99 93.05 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.59 179.439 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -54.75 -32.0 59.26 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.407 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . 0.613 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.1 OUTLIER -90.0 -23.2 21.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.222 -179.867 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.33 17.74 8.58 Favored Glycine 0 CA--C 1.519 0.284 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.762 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.771 HD11 ' HB1' ' S' ' 50' ' ' ALA . 0.2 OUTLIER -107.56 -69.09 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.894 0.378 . . . . 0.0 110.118 179.524 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.797 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.05 0 CA-C-N 114.923 -1.035 . . . . 0.0 110.868 179.643 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.733 0.302 . . . . 0.0 111.277 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -55.55 -40.64 72.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.017 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.14 -41.66 28.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.133 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 42.6 mttt -69.37 116.3 9.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.53 154.21 20.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.979 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 28.8 p -145.41 154.83 42.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.2 126.55 34.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 60.4 m -92.97 110.87 22.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.908 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.8 HG21 ' N ' ' S' ' 43' ' ' THR . 2.5 pt -93.87 158.29 2.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.496 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.562 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 7.3 m-30 -89.85 139.66 27.68 Favored Pre-proline 0 C--N 1.328 -0.367 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 178.038 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.453 ' O ' ' N ' ' S' ' 23' ' ' ASP . 1.7 Cg_endo -45.68 100.0 0.04 OUTLIER 'Trans proline' 0 N--CA 1.464 -0.228 0 C-N-CA 122.925 2.417 . . . . 0.0 113.39 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.624 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.7 OUTLIER -37.1 -32.24 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.2 -38.97 68.93 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.062 0.458 . . . . 0.0 110.878 -179.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.615 ' HA ' ' CB ' ' S' ' 27' ' ' ARG . 4.1 m-20 -70.03 -22.81 63.06 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.652 -0.703 . . . . 0.0 111.988 -179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.829 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.1 OUTLIER -95.42 -11.84 26.95 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.241 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.827 HD13 ' CD2' ' S' ' 75' ' ' LEU . 12.3 tp -99.38 2.67 45.45 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -178.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.613 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 164.51 44.34 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.85 0.357 . . . . 0.0 111.498 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.642 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 1.2 tmt_? -150.77 145.39 18.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.037 -179.426 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.642 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 19.0 Cg_endo -57.53 64.22 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.715 0 C-N-CA 122.634 2.222 . . . . 0.0 111.851 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.795 HD13 ' HA ' ' S' ' 24' ' ' LEU . 1.1 pt? -65.09 159.22 66.75 Favored Pre-proline 0 C--N 1.327 -0.407 0 CA-C-N 114.865 -1.061 . . . . 0.0 111.612 179.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.562 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 63.2 Cg_endo -71.35 -161.41 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.042 2.495 . . . . 0.0 112.27 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.88 -11.11 20.06 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.957 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.495 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.72 -24.97 13.98 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 119.443 -1.36 . . . . 0.0 110.048 177.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.779 HG21 ' CD1' ' S' ' 29' ' ' LEU . 17.0 m -82.44 108.94 15.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 CA-C-N 114.875 -0.662 . . . . 0.0 110.274 178.455 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.479 ' HB2' ' HG2' ' S' ' 37' ' ' LYS . 3.0 m-20 -81.91 105.41 4.44 Favored Pre-proline 0 C--N 1.322 -0.617 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.455 ' HA ' HD21 ' S' ' 38' ' ' LEU . 2.2 Cg_endo -42.52 -47.05 7.76 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 123.034 2.489 . . . . 0.0 113.752 -178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.674 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -63.04 -15.59 57.02 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 121.221 -0.192 . . . . 0.0 111.331 -179.574 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.875 ' HG3' HD13 ' S' ' 40' ' ' ILE . 27.6 pttt -149.57 100.09 2.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.802 0.334 . . . . 0.0 110.507 179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.748 HD13 ' OH ' ' S' ' 41' ' ' TYR . 1.1 mt -87.12 -46.67 9.56 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.496 -179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.713 ' HA ' HD11 ' S' ' 42' ' ' LEU . 3.6 pt-20 -42.05 -24.95 0.05 Allowed 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 -179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.875 HD13 ' HG3' ' S' ' 37' ' ' LYS . 18.2 pt -60.13 -38.04 75.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 N-CA-C 113.469 0.914 . . . . 0.0 113.469 -178.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.829 ' HE1' HD13 ' S' ' 24' ' ' LEU . 38.6 p90 -103.61 36.54 2.27 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -177.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.713 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.61 124.17 19.58 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.865 0.364 . . . . 0.0 111.074 178.037 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.8 ' N ' HG21 ' S' ' 18' ' ' ILE . 7.9 t -66.93 -168.02 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.06 179.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.436 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.0 p30 -66.5 -37.8 85.87 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.346 179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -64.94 -52.53 55.85 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.456 ' OD2' ' HB3' ' S' ' 42' ' ' LEU . 56.7 t0 -64.84 -35.37 80.89 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 178.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.669 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.3 OUTLIER -64.09 -45.92 86.53 Favored 'General case' 0 CA--C 1.514 -0.419 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.084 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . 0.489 ' HA ' ' HA ' ' S' ' 52' ' ' ASP . 6.0 mt-10 -60.34 -35.84 76.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 114.968 -1.015 . . . . 0.0 110.812 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -84.11 -24.31 30.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.556 ' HB3' HD12 ' S' ' 51' ' ' LEU . . . -77.37 -60.94 2.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.446 -179.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.992 HD22 ' CE2' ' S' ' 58' ' ' TYR . 0.0 OUTLIER -133.29 8.11 3.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.436 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.489 ' HA ' ' HA ' ' S' ' 48' ' ' GLU . 14.7 m-20 66.62 15.11 10.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.589 0.233 . . . . 0.0 110.842 -179.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.484 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -105.52 -166.23 1.19 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.675 179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 6.0 p -133.59 158.1 44.04 Favored 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 120.623 0.249 . . . . 0.0 110.805 179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.452 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 7.5 ttm180 -61.26 -29.76 70.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.029 0.442 . . . . 0.0 109.887 178.811 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -88.99 -8.39 54.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.787 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -93.85 -54.79 3.48 Favored 'General case' 0 CA--C 1.51 -0.587 0 CA-C-O 121.679 0.752 . . . . 0.0 109.15 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.992 ' CE2' HD22 ' S' ' 51' ' ' LEU . 1.4 m-30 -68.25 -26.63 65.78 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 114.565 -1.198 . . . . 0.0 109.859 178.651 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.2 OUTLIER -48.55 -27.22 2.61 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.486 -0.779 . . . . 0.0 111.532 179.761 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.62 -28.92 5.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 111.62 -179.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.747 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.2 OUTLIER -60.69 151.63 70.99 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.799 -179.859 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.747 ' HD2' HD23 ' S' ' 61' ' ' LEU . 4.3 Cg_exo -41.33 142.8 0.94 Allowed 'Trans proline' 0 N--CA 1.461 -0.385 0 C-N-CA 123.275 2.65 . . . . 0.0 112.214 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.906 ' O ' HG13 ' S' ' 67' ' ' VAL . . . -74.33 -19.14 60.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.773 ' O ' HG22 ' S' ' 67' ' ' VAL . 0.0 OUTLIER -90.39 -42.78 10.72 Favored 'General case' 0 N--CA 1.443 -0.819 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.43 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -63.19 -37.77 88.55 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.693 179.644 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.434 ' HA ' ' CE1' ' S' ' 58' ' ' TYR . 3.8 pt20 -65.23 -42.03 93.78 Favored 'General case' 0 N--CA 1.451 -0.406 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 178.22 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.968 HG12 ' CZ ' ' S' ' 76' ' ' PHE . 3.2 m -69.46 -37.75 75.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 N-CA-C 108.549 -0.908 . . . . 0.0 108.549 177.182 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.59 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 66.6 t30 -42.24 -41.54 2.77 Favored 'General case' 0 C--N 1.342 0.241 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.853 179.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.657 ' HB3' ' HB3' ' S' ' 51' ' ' LEU . 0.8 OUTLIER -79.52 -45.61 18.95 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -178.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.844 ' HB3' ' H ' ' S' ' 76' ' ' PHE . 0.0 OUTLIER -68.36 -32.96 73.42 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-O 120.792 0.33 . . . . 0.0 110.457 -179.476 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.429 ' HD2' HG23 ' S' ' 67' ' ' VAL . 2.3 mtpt -64.58 -39.95 94.66 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.126 -0.488 . . . . 0.0 109.948 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.0 -32.11 70.56 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.484 179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mttt -89.9 -25.29 21.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.41 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 104.43 24.16 7.62 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.986 -0.626 . . . . 0.0 113.533 179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.827 ' CD2' HD13 ' S' ' 25' ' ' LEU . 4.2 mt -94.39 -82.61 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 178.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.968 ' CZ ' HG12 ' S' ' 67' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.979 0 CA-C-O 118.266 -0.874 . . . . 0.0 111.491 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.854 0.359 . . . . 0.0 111.4 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . 0.504 ' H ' HD12 ' S' ' 11' ' ' LEU . 0.8 OUTLIER -71.89 -38.08 70.03 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.055 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.63 -57.1 3.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.321 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 61.7 mttt -127.98 175.01 8.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.913 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 1.6 mt -129.69 149.38 51.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 6.9 p -138.99 150.36 45.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 3.3 mttm -93.53 129.15 39.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 29.8 m -130.94 127.59 38.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.782 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.617 HG23 ' O ' ' S' ' 41' ' ' TYR . 5.1 mp -89.28 142.98 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.519 0 CA-C-O 121.179 0.514 . . . . 0.0 111.856 -179.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.54 ' CE2' ' HG2' ' S' ' 30' ' ' PRO . 8.0 m-30 -92.75 134.41 27.71 Favored Pre-proline 0 CA--C 1.533 0.317 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.676 179.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_endo -49.0 115.51 1.73 Allowed 'Trans proline' 0 C--N 1.349 0.558 0 C-N-CA 122.9 2.4 . . . . 0.0 113.353 -178.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.578 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.9 OUTLIER -40.84 -32.44 0.22 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.074 179.927 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.97 -45.58 73.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.144 0.497 . . . . 0.0 110.558 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.687 ' HA ' ' HB3' ' S' ' 27' ' ' ARG . 2.6 m-20 -61.14 -24.59 66.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.184 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.889 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -102.32 -9.86 20.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.543 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.638 HD13 HD21 ' S' ' 75' ' ' LEU . 11.6 tp -100.66 4.85 43.57 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.618 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 162.49 42.26 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 120.78 0.324 . . . . 0.0 111.485 179.301 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.687 ' HB3' ' HA ' ' S' ' 23' ' ' ASP . 0.0 OUTLIER -150.88 141.55 14.73 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.744 -179.407 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.665 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 10.4 Cg_endo -52.71 71.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.565 0 C-N-CA 122.694 2.263 . . . . 0.0 112.078 178.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 1.075 HD12 HG21 ' S' ' 33' ' ' VAL . 0.6 OUTLIER -71.86 159.36 85.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.46 -0.791 . . . . 0.0 111.48 -179.868 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.54 ' HG2' ' CE2' ' S' ' 19' ' ' TYR . 90.7 Cg_endo -77.41 -160.86 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.9 2.4 . . . . 0.0 112.351 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -102.18 -6.97 22.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.933 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.461 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -51.87 -25.96 17.2 Favored Glycine 0 C--N 1.334 0.466 0 N-CA-C 109.042 -1.623 . . . . 0.0 109.042 176.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 1.075 HG21 HD12 ' S' ' 29' ' ' LEU . 15.2 m -76.29 157.45 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 114.284 -0.958 . . . . 0.0 109.784 177.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.52 ' HB3' HD22 ' S' ' 36' ' ' LEU . 1.4 m-20 -125.22 108.65 27.2 Favored Pre-proline 0 C--N 1.319 -0.754 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.455 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 23.0 Cg_endo -60.42 -13.74 26.55 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.762 2.308 . . . . 0.0 114.393 -177.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.586 HD23 ' N ' ' S' ' 37' ' ' LYS . 0.5 OUTLIER -77.89 -8.29 57.87 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 120.674 0.273 . . . . 0.0 111.733 -179.588 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.586 ' N ' HD23 ' S' ' 36' ' ' LEU . 0.0 OUTLIER 171.49 89.5 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 -179.769 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.733 HD12 ' HB3' ' S' ' 75' ' ' LEU . 8.1 mt -56.69 -30.32 63.3 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -177.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.704 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.0 OUTLIER -39.59 -26.96 0.03 OUTLIER 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -179.636 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' S' ' 37' ' ' LYS . 0.2 OUTLIER -70.47 -36.34 65.82 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.326 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 -177.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.889 ' CE1' HD13 ' S' ' 24' ' ' LEU . 52.8 p90 -97.53 35.41 1.65 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 112.946 0.721 . . . . 0.0 112.946 -178.464 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.705 HD12 ' CD2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -138.48 115.3 10.74 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 110.319 -0.252 . . . . 0.0 110.319 177.677 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.58 ' H ' HG21 ' S' ' 18' ' ' ILE . 5.1 t -63.04 -170.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.775 0.321 . . . . 0.0 110.445 179.452 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.496 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 21.4 p-10 -65.75 -32.74 74.46 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.35 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.64 -49.02 67.6 Favored 'General case' 0 N--CA 1.452 -0.372 0 N-CA-C 109.062 -0.718 . . . . 0.0 109.062 178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' S' ' 50' ' ' ALA . 37.2 t0 -67.74 -38.56 83.67 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 178.116 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.705 ' CD2' HD12 ' S' ' 42' ' ' LEU . 0.6 OUTLIER -62.77 -42.16 99.56 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.212 178.16 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.34 -46.06 83.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.969 -1.014 . . . . 0.0 112.344 -178.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -95.0 -16.59 22.62 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' S' ' 46' ' ' ASP . . . -100.01 -23.85 14.79 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -179.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.746 HD22 ' CE2' ' S' ' 58' ' ' TYR . 12.7 mt -141.57 -4.49 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.057 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' S' ' 47' ' ' PHE . 5.3 m-20 62.3 13.59 6.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 111.424 0.157 . . . . 0.0 111.424 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.628 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -127.4 -159.28 0.93 Allowed 'General case' 0 N--CA 1.464 0.23 0 C-N-CA 121.019 -0.273 . . . . 0.0 110.543 179.457 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.428 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 1.1 p -133.74 155.91 48.92 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 120.997 -0.281 . . . . 0.0 110.816 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.467 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 1.0 OUTLIER -59.63 -27.73 66.6 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.981 -0.378 . . . . 0.0 109.981 178.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -87.95 -9.26 54.14 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.652 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.514 ' HG3' HD12 ' S' ' 61' ' ' LEU . 1.4 tt0 -95.14 -57.86 2.31 Favored 'General case' 0 CA--C 1.512 -0.491 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 179.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.746 ' CE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -60.43 -28.79 68.55 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.743 -1.117 . . . . 0.0 109.25 177.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.467 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 1.8 m-20 -54.44 -25.51 25.38 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.281 179.567 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -115.58 -29.3 6.52 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.76 -179.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.578 HD23 ' HD2' ' S' ' 62' ' ' PRO . 0.3 OUTLIER -60.86 168.6 2.52 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.719 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.578 ' HD2' HD23 ' S' ' 61' ' ' LEU . 52.3 Cg_exo -52.38 160.23 3.71 Favored 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.418 2.079 . . . . 0.0 112.065 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.824 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -88.07 -21.03 24.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.663 -179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.48 -43.59 10.15 Favored 'General case' 0 N--CA 1.44 -0.935 0 N-CA-C 108.909 -0.774 . . . . 0.0 108.909 179.567 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.459 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.4 OUTLIER -60.84 -42.86 98.6 Favored 'General case' 0 CA--C 1.514 -0.408 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.737 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.591 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.6 pt20 -61.97 -43.26 99.22 Favored 'General case' 0 N--CA 1.449 -0.51 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 177.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.824 HG23 ' O ' ' S' ' 63' ' ' ALA . 77.7 t -64.06 -39.79 86.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.828 -0.805 . . . . 0.0 108.828 177.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.56 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 57.7 t30 -43.17 -55.86 3.72 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.128 0.489 . . . . 0.0 111.22 178.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.429 ' HB2' ' OH ' ' S' ' 58' ' ' TYR . 3.5 mm? -69.99 -38.72 76.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.755 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.765 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 0.1 OUTLIER -63.29 -47.05 83.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.766 -179.2 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.43 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 16.4 mttp -57.51 -35.8 70.73 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.655 179.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -67.99 -26.69 66.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.334 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.74 -17.38 28.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.29 -11.15 28.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.827 -0.702 . . . . 0.0 113.259 179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' S' ' 38' ' ' LEU . 3.9 mt -84.18 -71.61 0.5 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.144 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.765 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.067 -0.97 . . . . 0.0 111.284 179.155 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 1.8 ptt? . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.733 0.302 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.95 -44.32 20.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.865 -179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -102.01 -55.01 2.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.056 -179.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -72.33 167.34 20.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.892 179.961 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . 0.465 HD22 ' N ' ' S' ' 14' ' ' LEU . 3.6 mm? -96.98 155.56 16.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 -179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -106.58 118.08 35.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.711 -179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 mtpm? -90.44 124.24 34.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.025 -179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -108.0 110.92 22.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.623 179.831 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.621 HG21 ' H ' ' S' ' 43' ' ' THR . 5.3 mp -89.61 147.08 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 CA-C-O 121.277 0.561 . . . . 0.0 111.945 -179.307 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.629 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 19.3 m-30 -98.59 134.42 21.75 Favored Pre-proline 0 CA--C 1.533 0.326 0 CA-C-N 115.35 -0.841 . . . . 0.0 109.66 179.008 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.514 ' HG2' ' HB2' ' S' ' 23' ' ' ASP . 6.3 Cg_endo -48.51 136.91 26.2 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.862 2.374 . . . . 0.0 112.765 -178.995 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' S' ' 24' ' ' LEU . 0.7 OUTLIER -57.95 -45.24 86.95 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.707 -0.678 . . . . 0.0 112.258 -179.434 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.13 -50.93 72.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.427 0.632 . . . . 0.0 110.907 -179.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.514 ' HB2' ' HG2' ' S' ' 20' ' ' PRO . 0.6 OUTLIER -50.14 -21.42 1.29 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.152 -0.931 . . . . 0.0 112.398 179.868 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.907 HD13 ' CE1' ' S' ' 41' ' ' TYR . 0.2 OUTLIER -115.64 -27.45 7.09 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.916 0.339 . . . . 0.0 111.916 -178.413 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.669 HD12 HD21 ' S' ' 75' ' ' LEU . 0.4 OUTLIER -62.41 -13.52 30.57 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.239 -179.531 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.593 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 166.45 47.13 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 120.778 0.323 . . . . 0.0 111.23 179.675 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.735 ' HG2' ' HD2' ' S' ' 28' ' ' PRO . 0.0 OUTLIER -150.48 142.34 15.5 Favored Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.766 -179.341 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.735 ' HD2' ' HG2' ' S' ' 27' ' ' ARG . 96.5 Cg_exo -40.48 79.47 0.0 OUTLIER 'Trans proline' 0 C--N 1.354 0.859 0 C-N-CA 122.399 2.066 . . . . 0.0 111.837 178.518 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.865 HD22 HG11 ' S' ' 33' ' ' VAL . 2.4 pp -76.29 155.64 83.97 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 114.489 -1.232 . . . . 0.0 112.651 -178.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.629 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 55.8 Cg_endo -66.46 -162.26 0.06 OUTLIER 'Trans proline' 0 C--N 1.347 0.448 0 C-N-CA 123.861 3.041 . . . . 0.0 113.21 -179.635 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 13.1 tm-20 -96.26 -42.5 8.14 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.696 -179.583 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . . . . . . . . . . . -47.44 -26.99 3.89 Favored Glycine 0 C--N 1.334 0.47 0 C-N-CA 119.804 -1.189 . . . . 0.0 110.216 178.267 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.975 HG22 ' CD2' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -81.15 111.24 17.54 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 CA-C-N 114.786 -0.707 . . . . 0.0 109.645 178.304 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.631 ' O ' HD23 ' S' ' 38' ' ' LEU . 1.7 m-20 -96.6 126.56 42.84 Favored Pre-proline 0 C--N 1.329 -0.313 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.18 -179.85 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.5 ' HA ' HD21 ' S' ' 38' ' ' LEU . 19.3 Cg_endo -58.18 -38.37 91.56 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.774 2.316 . . . . 0.0 113.58 -178.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.815 ' C ' HD22 ' S' ' 36' ' ' LEU . 0.0 OUTLIER -76.35 -20.58 57.07 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.932 -0.307 . . . . 0.0 111.825 -179.25 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.73 ' O ' HD12 ' S' ' 40' ' ' ILE . 0.2 OUTLIER -132.74 91.85 2.97 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.841 0.353 . . . . 0.0 110.233 179.455 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.796 HD22 ' CE2' ' S' ' 41' ' ' TYR . 8.1 mt -88.14 -62.77 1.42 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 -178.79 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.646 ' HA ' HD21 ' S' ' 42' ' ' LEU . 0.4 OUTLIER -39.2 -25.04 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.532 0.938 . . . . 0.0 113.532 -178.695 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.9 HD13 ' N ' ' S' ' 41' ' ' TYR . 0.0 OUTLIER -77.45 -23.81 14.52 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.336 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.975 ' CD2' HG22 ' S' ' 33' ' ' VAL . 0.1 OUTLIER -95.77 25.7 4.48 Favored 'General case' 0 N--CA 1.462 0.132 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.651 -179.835 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.646 HD21 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.14 115.91 11.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.23 179.751 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.691 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 6.9 t -59.7 -165.63 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 178.991 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.464 ' HA ' ' HB2' ' S' ' 47' ' ' PHE . 2.9 p30 -68.0 -39.35 83.24 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 122.731 0.412 . . . . 0.0 110.38 179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -63.34 -51.53 65.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.23 -0.655 . . . . 0.0 109.23 179.046 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.407 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 12.5 t0 -66.47 -35.42 80.23 Favored 'General case' 0 N--CA 1.447 -0.612 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 178.336 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.691 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -62.98 -43.69 98.1 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.075 178.082 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -56.14 -43.05 77.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.439 -179.195 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -93.3 -11.28 32.84 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.294 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.1 -37.15 9.08 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.815 0.302 . . . . 0.0 111.815 -179.549 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.886 HD11 ' HG2' ' S' ' 70' ' ' LYS . 1.4 mt -140.01 1.03 1.81 Allowed 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 -179.249 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . . . . . . . . . 55.5 m-20 61.41 13.75 5.27 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 121.334 -0.147 . . . . 0.0 111.183 -179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.642 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -118.71 -161.17 0.83 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 121.063 -0.255 . . . . 0.0 110.576 179.472 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . . . . . . . . . 2.8 p -133.97 151.75 51.59 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 120.907 -0.317 . . . . 0.0 110.78 -179.924 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.5 ' HA ' ' CE2' ' S' ' 47' ' ' PHE . 0.5 OUTLIER -59.2 -25.71 64.2 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.513 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.95 -8.99 47.72 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.368 179.612 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.46 ' HG2' HD12 ' S' ' 61' ' ' LEU . 2.1 tt0 -93.32 -56.53 2.91 Favored 'General case' 0 CA--C 1.512 -0.507 0 N-CA-C 108.583 -0.895 . . . . 0.0 108.583 179.372 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.664 ' OH ' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -62.41 -31.69 72.41 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.626 -1.17 . . . . 0.0 109.043 177.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.484 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 0.4 OUTLIER -51.35 -26.07 7.05 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.289 179.558 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -117.42 -30.9 5.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.654 -179.34 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.46 HD12 ' HG2' ' S' ' 57' ' ' GLU . 7.8 mt -60.78 159.13 27.98 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.712 -179.785 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.427 ' HD2' HD22 ' S' ' 61' ' ' LEU . 67.9 Cg_exo -49.84 143.75 22.55 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.38 2.054 . . . . 0.0 111.851 179.989 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.813 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -74.74 -15.0 60.79 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.939 -179.469 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.72 -45.82 8.62 Favored 'General case' 0 N--CA 1.442 -0.851 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.582 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.479 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -60.37 -42.02 94.94 Favored 'General case' 0 CA--C 1.513 -0.447 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.494 179.941 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . 0.549 ' HB2' ' CD2' ' S' ' 58' ' ' TYR . 3.8 pt20 -62.71 -44.09 97.12 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 177.888 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.852 HG13 ' O ' ' S' ' 76' ' ' PHE . 77.7 t -63.26 -38.61 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 177.264 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.559 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 58.5 t30 -45.86 -60.37 2.27 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.045 0.45 . . . . 0.0 111.502 179.171 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.407 ' HA ' HD12 ' S' ' 69' ' ' LEU . 9.1 tp -72.35 -12.8 61.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.855 -179.096 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.886 ' HG2' HD11 ' S' ' 51' ' ' LEU . 30.9 mtpt -74.49 -46.06 41.95 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.795 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.428 ' N ' ' HA ' ' S' ' 76' ' ' PHE . 20.1 mttt -63.3 -37.46 87.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.139 179.222 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -62.66 -29.57 70.73 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.938 -0.573 . . . . 0.0 111.268 179.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.0 -16.29 30.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.23 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.36 -11.52 28.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.879 -0.677 . . . . 0.0 113.484 179.427 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.733 ' HB3' HD12 ' S' ' 38' ' ' LEU . 7.8 mt -81.24 -73.34 0.38 Allowed 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.152 -0.685 . . . . 0.0 109.152 178.767 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.852 ' O ' HG13 ' S' ' 67' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.083 0 O-C-N 124.363 1.039 . . . . 0.0 111.95 178.539 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 10' ' ' MET . . . . . . . . . . . . . 3.7 ttp . . . . . 0 N--CA 1.486 1.348 0 CA-C-O 120.784 0.326 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' S' S ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 mt -97.86 -42.15 7.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 12' ' ' ALA . . . . . . . . . . . . . . . -81.35 -31.17 33.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.109 179.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 13' ' ' LYS . . . . . . . . . . . . . 14.6 mmtt -103.66 150.07 24.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.809 -179.93 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -117.05 119.61 35.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 15' ' ' CYS . . . . . . . . . . . . . 29.6 p -146.93 122.29 10.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.02 179.962 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 16' ' ' LYS . . . . . . . . . . . . . 22.0 mtmt -76.81 125.72 29.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.818 179.936 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 17' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -145.62 124.87 12.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 18' ' ' ILE . . . . . 0.532 ' C ' HD13 ' S' ' 18' ' ' ILE . 0.0 OUTLIER -89.79 130.33 39.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.074 -179.952 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 19' ' ' TYR . . . . . 0.578 ' CD2' ' HG2' ' S' ' 30' ' ' PRO . 8.8 m-30 -93.85 140.09 22.89 Favored Pre-proline 0 CA--C 1.532 0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.832 179.365 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 20' ' ' PRO . . . . . 0.457 ' O ' HD23 ' S' ' 24' ' ' LEU . 5.9 Cg_endo -47.73 106.15 0.1 OUTLIER 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 123.266 2.644 . . . . 0.0 113.515 -178.529 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 21' ' ' LEU . . . . . 0.522 ' O ' ' HB2' ' S' ' 25' ' ' LEU . 1.4 pp -40.23 -36.26 0.5 Allowed 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.232 179.698 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.21 -47.18 77.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.923 0.392 . . . . 0.0 111.232 -179.354 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 23' ' ' ASP . . . . . 0.587 ' HA ' ' HG2' ' S' ' 27' ' ' ARG . 0.4 OUTLIER -65.15 -27.38 68.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.973 -0.558 . . . . 0.0 112.373 -179.103 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 24' ' ' LEU . . . . . 0.885 HD13 ' HE1' ' S' ' 41' ' ' TYR . 0.4 OUTLIER -95.51 -17.71 21.22 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.04 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 25' ' ' LEU . . . . . 0.674 HD11 ' O ' ' S' ' 73' ' ' LYS . 7.7 tp -81.76 -10.66 59.29 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 -178.155 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 26' ' ' ALA . . . . . 0.586 ' HB2' ' O ' ' S' ' 25' ' ' LEU . . . 170.33 39.87 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.348 0.87 . . . . 0.0 113.348 179.413 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 27' ' ' ARG . . . . . 0.698 ' O ' ' N ' ' S' ' 29' ' ' LEU . 0.0 OUTLIER -150.85 154.0 34.09 Favored Pre-proline 0 C--N 1.327 -0.398 0 C-N-CA 120.882 -0.327 . . . . 0.0 111.238 179.133 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 28' ' ' PRO . . . . . 0.521 ' HD2' ' HD3' ' S' ' 27' ' ' ARG . 2.2 Cg_endo -44.89 72.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.35 0.644 0 C-N-CA 123.244 2.629 . . . . 0.0 112.353 178.588 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 29' ' ' LEU . . . . . 0.934 HD13 ' CG1' ' S' ' 33' ' ' VAL . 2.6 pp -69.71 155.16 94.0 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 114.72 -1.127 . . . . 0.0 111.547 179.735 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 30' ' ' PRO . . . . . 0.578 ' HG2' ' CD2' ' S' ' 19' ' ' TYR . 68.2 Cg_endo -70.94 -162.95 0.11 Allowed 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.388 2.725 . . . . 0.0 113.372 -179.107 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -93.1 -40.01 10.74 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.583 -179.409 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 32' ' ' GLY . . . . . 0.471 ' HA3' ' CE2' ' S' ' 19' ' ' TYR . . . -45.73 -29.87 3.2 Favored Glycine 0 C--N 1.336 0.53 0 N-CA-C 109.705 -1.358 . . . . 0.0 109.705 177.958 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 33' ' ' VAL . . . . . 0.945 HG22 ' CZ ' ' S' ' 41' ' ' TYR . 1.0 OUTLIER -74.08 113.87 12.98 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.512 0 CA-C-N 114.211 -0.994 . . . . 0.0 108.818 177.366 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 34' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' S' ' 36' ' ' LEU . 4.6 m-20 -90.33 126.74 55.62 Favored Pre-proline 0 C--N 1.327 -0.401 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.219 -178.881 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 35' ' ' PRO . . . . . 0.441 ' O ' ' CE1' ' S' ' 76' ' ' PHE . 65.4 Cg_endo -73.68 -16.38 23.81 Favored 'Trans proline' 0 C--N 1.346 0.444 0 C-N-CA 122.588 2.192 . . . . 0.0 113.579 -179.487 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 36' ' ' LEU . . . . . 0.631 HD13 ' H ' ' S' ' 36' ' ' LEU . 0.0 OUTLIER -78.7 -14.36 59.33 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 120.669 0.271 . . . . 0.0 111.644 -179.623 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 37' ' ' LYS . . . . . 0.503 ' N ' HD22 ' S' ' 36' ' ' LEU . 3.2 pttt -177.72 114.34 0.08 Allowed 'General case' 0 C--N 1.332 -0.182 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 38' ' ' LEU . . . . . 0.763 HD22 ' OH ' ' S' ' 41' ' ' TYR . 2.5 mt -87.46 -36.34 17.74 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 113.094 0.776 . . . . 0.0 113.094 -177.879 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 39' ' ' GLU . . . . . 0.678 ' HA ' HD11 ' S' ' 42' ' ' LEU . 0.2 OUTLIER -44.73 -25.0 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -179.672 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 40' ' ' ILE . . . . . 0.435 HG12 ' HG3' ' S' ' 37' ' ' LYS . 1.4 pp -68.33 -38.37 79.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -178.828 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 41' ' ' TYR . . . . . 0.945 ' CZ ' HG22 ' S' ' 33' ' ' VAL . 27.3 p90 -96.25 35.61 1.43 Allowed 'General case' 0 N--CA 1.462 0.173 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.859 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 42' ' ' LEU . . . . . 0.678 HD11 ' HA ' ' S' ' 39' ' ' GLU . 0.2 OUTLIER -138.4 115.54 10.99 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.596 177.429 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 43' ' ' THR . . . . . 0.672 ' O ' ' HB2' ' S' ' 47' ' ' PHE . 0.2 OUTLIER -60.87 -167.79 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.09 179.454 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 44' ' ' ASP . . . . . 0.43 ' H ' HG22 ' S' ' 43' ' ' THR . 20.7 p-10 -66.62 -36.91 83.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.247 179.596 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -67.61 -50.99 55.43 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.946 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 46' ' ' ASP . . . . . 0.417 ' CG ' ' HB3' ' S' ' 42' ' ' LEU . 14.9 t0 -65.4 -31.83 73.14 Favored 'General case' 0 N--CA 1.445 -0.68 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.163 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 47' ' ' PHE . . . . . 0.672 ' HB2' ' O ' ' S' ' 43' ' ' THR . 0.2 OUTLIER -68.09 -47.03 69.33 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.078 -0.965 . . . . 0.0 109.292 177.995 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 48' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -58.59 -51.74 68.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.651 -178.988 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 49' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -75.18 -15.66 60.55 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -179.203 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 50' ' ' ALA . . . . . . . . . . . . . . . -100.28 -61.2 1.4 Allowed 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 112.244 0.461 . . . . 0.0 112.244 -179.306 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 51' ' ' LEU . . . . . 0.827 HD22 ' HE2' ' S' ' 58' ' ' TYR . 2.3 mt -109.17 -9.85 15.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.216 0.45 . . . . 0.0 112.216 -178.919 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 52' ' ' ASP . . . . . 0.424 ' N ' ' O ' ' S' ' 47' ' ' PHE . 3.4 m-20 70.11 13.48 7.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.519 0.199 . . . . 0.0 111.181 -179.375 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 53' ' ' MET . . . . . 0.63 ' O ' ' HB3' ' S' ' 47' ' ' PHE . 0.0 OUTLIER -119.88 -159.94 0.8 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 121.179 -0.208 . . . . 0.0 110.449 179.378 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 54' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' S' ' 57' ' ' GLU . 0.6 OUTLIER -133.36 159.12 41.24 Favored 'General case' 0 C--O 1.233 0.221 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.582 179.85 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 55' ' ' ARG . . . . . 0.423 ' O ' ' HB2' ' S' ' 59' ' ' ASN . 0.6 OUTLIER -62.18 -28.45 69.67 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.824 -0.435 . . . . 0.0 109.824 178.76 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 56' ' ' ASP . . . . . . . . . . . . . 71.6 m-20 -92.22 -8.96 43.93 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.441 179.62 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 57' ' ' GLU . . . . . 0.401 ' HB2' ' OG1' ' S' ' 54' ' ' THR . 0.0 OUTLIER -90.56 -49.76 6.31 Favored 'General case' 0 CA--C 1.512 -0.487 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 179.605 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 58' ' ' TYR . . . . . 0.827 ' HE2' HD22 ' S' ' 51' ' ' LEU . 2.6 m-30 -71.36 -32.17 68.19 Favored 'General case' 0 N--CA 1.445 -0.713 0 CA-C-N 114.279 -1.328 . . . . 0.0 109.333 178.419 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 59' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' S' ' 55' ' ' ARG . 2.1 m-20 -51.15 -28.07 10.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.295 179.713 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 60' ' ' ALA . . . . . . . . . . . . . . . -104.34 -34.96 8.12 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.506 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 61' ' ' LEU . . . . . 0.544 HD22 ' HD2' ' S' ' 62' ' ' PRO . 7.8 mt -60.69 160.53 18.94 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.468 179.856 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 62' ' ' PRO . . . . . 0.544 ' HD2' HD22 ' S' ' 61' ' ' LEU . 77.7 Cg_exo -49.35 161.67 0.65 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.256 1.971 . . . . 0.0 111.82 179.776 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 63' ' ' ALA . . . . . 0.855 ' O ' HG23 ' S' ' 67' ' ' VAL . . . -84.2 -20.24 32.68 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.673 -179.63 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 64' ' ' TRP . . . . . 0.53 ' CZ3' ' HB2' ' S' ' 68' ' ' ASN . 0.0 OUTLIER -90.35 -43.87 10.05 Favored 'General case' 0 N--CA 1.44 -0.927 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 179.563 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 65' ' ' LYS . . . . . 0.455 ' N ' ' CG ' ' S' ' 64' ' ' TRP . 0.0 OUTLIER -61.2 -41.09 96.22 Favored 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.566 179.801 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 66' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -63.92 -41.59 97.6 Favored 'General case' 0 N--CA 1.449 -0.497 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.004 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 67' ' ' VAL . . . . . 0.855 HG23 ' O ' ' S' ' 63' ' ' ALA . 97.4 t -66.44 -39.36 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 177.272 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 68' ' ' ASN . . . . . 0.53 ' HB2' ' CZ3' ' S' ' 64' ' ' TRP . 62.9 t30 -40.42 -50.45 2.87 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.528 179.058 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 69' ' ' LEU . . . . . 0.731 ' HB3' HD23 ' S' ' 51' ' ' LEU . 1.8 mm? -77.01 -28.93 55.19 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.138 -179.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 70' ' ' LYS . . . . . 0.82 ' HB3' ' CA ' ' S' ' 76' ' ' PHE . 1.6 mtmm -64.61 -52.27 58.36 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.261 -179.23 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' S' S ' 71' ' ' LYS . . . . . 0.519 ' HG3' HG12 ' S' ' 67' ' ' VAL . 0.2 OUTLIER -61.31 -36.72 80.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.614 179.569 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.46 -28.67 68.77 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.418 -179.649 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 73' ' ' LYS . . . . . 0.674 ' O ' HD11 ' S' ' 25' ' ' LEU . 0.5 OUTLIER -89.77 -16.34 30.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.693 0.282 . . . . 0.0 111.108 -179.935 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.22 -10.9 28.92 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.759 -0.734 . . . . 0.0 113.162 179.778 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' S' S ' 75' ' ' LEU . . . . . 0.642 ' HB3' HD12 ' S' ' 38' ' ' LEU . 0.0 OUTLIER -83.23 -71.01 0.52 Allowed 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.638 -0.504 . . . . 0.0 109.638 179.204 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' S' S ' 76' ' ' PHE . . . . . 0.82 ' CA ' ' HB3' ' S' ' 70' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-N 115.097 -0.956 . . . . 0.0 110.733 179.691 . . . . . . . . 2 2 . 1 stop_ save_