data_1kpq_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 1kpq _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 ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.09 -48.38 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.767 1.292 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' SER . 63.1 mttt -65.58 -42.34 91.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -55.57 -26.33 42.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -32.86 27.28 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 124.55 1.156 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.5 m -105.28 20.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.261 0.976 . . . . 0.0 108.895 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 t -74.34 -19.32 60.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.914 1.384 . . . . 0.0 110.31 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -34.48 33.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.298 0.999 . . . . 0.0 109.171 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.83 145.98 23.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -46.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.085 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' THR . 22.9 m-30 -90.94 27.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -44.05 -59.49 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.434 1.084 . . . . 0.0 110.093 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -47.04 -36.65 8.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.71 -38.27 54.65 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.823 1.327 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' TYR . 8.1 m -64.82 -53.04 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.2 t -53.12 -45.46 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -55.49 -53.86 51.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.547 1.154 . . . . 0.0 110.442 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.75 -45.41 82.04 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.695 1.247 . . . . 0.0 110.264 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -41.96 -43.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.821 1.326 . . . . 0.0 109.294 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.3 t-20 -70.15 -54.71 11.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.197 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.76 -56.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.303 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -63.5 -56.47 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 0.0 109.147 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.7 m -44.44 -45.13 8.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.047 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -69.59 -51.07 38.59 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.231 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -125.95 112.96 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -82.4 54.77 2.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.5 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.53 -52.05 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.15 115.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.71 142.42 24.57 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.34 1.025 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.47 137.16 22.6 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 O-C-N 124.212 1.638 . . . . 0.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.94 164.71 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.793 1.308 . . . . 0.0 109.525 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.15 121.75 17.38 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.326 1.016 . . . . 0.0 109.19 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -137.92 131.05 30.33 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.932 1.395 . . . . 0.0 109.195 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -101.74 157.98 16.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.4 1.062 . . . . 0.0 109.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -154.0 145.75 23.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.625 1.203 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.696 1.248 . . . . 0.0 109.47 179.789 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -136.59 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 124.641 1.213 . . . . 0.0 110.177 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -112.61 123.12 49.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 110.069 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -128.31 135.86 50.19 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.382 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 ptm -96.46 142.59 28.38 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -124.39 153.19 42.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.405 1.066 . . . . 0.0 109.257 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.29 107.99 17.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 m -112.22 129.76 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.0 -172.69 33.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 p -136.66 138.0 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 0.718 . . . . 0.0 110.683 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.0 mm -116.01 138.32 24.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.372 1.045 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.34 116.17 4.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.538 1.809 . . . . 0.0 110.759 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.28 95.79 46.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.534 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.76 147.28 34.83 Favored 'Trans proline' 0 C--N 1.356 0.941 0 O-C-N 124.32 1.695 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CZ ' ' CD ' ' A' ' 64' ' ' ARG . 65.7 t80 -153.22 127.1 8.91 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.447 1.092 . . . . 0.0 111.206 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.556 ' CD ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 60.93 19.95 10.28 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.444 1.09 . . . . 0.0 110.21 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 11.12 60.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.399 1.062 . . . . 0.0 110.994 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.424 ' N ' ' ND2' ' A' ' 66' ' ' ASN . 1.2 m-80 -101.78 -177.39 3.41 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.552 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -133.42 124.57 27.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -118.39 157.01 27.97 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.25 0.969 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -120.54 93.74 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.5 mt -100.58 110.74 61.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.65 36.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 124.624 1.855 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -152.72 138.86 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 O-C-N 124.319 1.012 . . . . 0.0 109.437 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 29.0 t -118.38 144.53 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 108.44 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.55 156.8 41.65 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.838 1.336 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.529 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 52.2 m95 -125.23 141.9 51.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 108.009 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 76' ' ' LEU . 1.7 mm? -120.0 168.65 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -144.45 168.16 20.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 124.813 1.321 . . . . 0.0 109.273 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.53 -36.69 38.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.455 1.097 . . . . 0.0 109.418 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t -174.4 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.455 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.77 165.35 22.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.007 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -74.96 -48.58 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.132 -0.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.42 108.75 18.63 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.603 1.189 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.526 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 t30 -42.06 -51.0 10.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.173 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 148.83 35.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.564 1.823 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.99 166.61 28.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.13 141.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 p -113.92 137.67 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 2.5 p90 -162.86 144.21 9.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 124.437 1.086 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.46 140.97 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.356 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 118.38 58.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.666 1.229 . . . . 0.0 109.201 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.75 154.33 43.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.35 1.711 . . . . 0.0 111.04 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.6 p -101.28 -164.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.225 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.16 -38.44 7.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -50.82 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -176.25 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.265 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 141' ' ' VAL . 0.2 OUTLIER -136.73 175.14 9.89 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.656 1.223 . . . . 0.0 110.297 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 4.2 tt -125.4 103.95 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -94.89 37.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.458 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 98' ' ' LYS . 1.8 p 43.24 -167.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.77 179.59 42.08 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 124.834 1.334 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -41.66 13.32 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.703 0.884 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.487 ' NE2' ' CG1' ' A' ' 134' ' ' VAL . 3.3 p80 -115.51 -35.72 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.655 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.13 97.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 124.686 1.241 . . . . 0.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.57 -174.93 1.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.45 -21.05 65.57 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.923 1.389 . . . . 0.0 109.054 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -94.51 9.51 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.65 9.9 59.73 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -77.15 147.5 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.68 0.871 . . . . 0.0 109.162 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.541 ' CD1' ' CE ' ' A' ' 131' ' ' MET . 1.3 mp -87.03 100.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.295 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.64 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.84 148.53 97.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -24.26 13.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -78.46 -22.9 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.19 -58.2 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -50.72 -40.16 53.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.13 37.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.6 t90 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -123.78 75.63 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -40.89 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.3 Cg_endo -75.03 1.78 15.58 Favored 'Cis proline' 0 C--N 1.359 1.091 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.977 -0.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 120' ' ' PRO . 61.1 mm-40 -34.89 -63.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.64 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.09 170.9 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.28 174.86 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.33 -44.82 67.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 mp -48.42 -52.31 22.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.73 -46.57 74.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.24 -34.6 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 mp -84.9 -33.55 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.18 -57.49 12.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 131' ' ' MET . 2.6 p -43.88 -50.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.541 ' CE ' ' CD1' ' A' ' 109' ' ' ILE . 18.6 mtt -54.23 -54.0 45.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.39 -29.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -86.95 -61.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.487 ' CG1' ' NE2' ' A' ' 102' ' ' HIS . 25.8 t -47.41 -49.84 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 131' ' ' MET . 4.6 m-85 -71.58 -34.41 69.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.79 -5.76 53.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.96 -40.53 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.387 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -145.26 118.84 5.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 110.322 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.28 113.74 3.84 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.772 1.933 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -75.15 -9.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' THR . 13.2 t -77.19 -67.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -43.24 -40.11 3.28 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 125.091 1.494 . . . . 0.0 109.135 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' SER . 12.0 tttm -62.5 -48.6 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.428 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLN . 32.0 tttt -62.96 -22.65 66.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.29 0.994 . . . . 0.0 109.572 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mmt -81.72 -32.29 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.981 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 m -108.61 14.88 8.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.202 0.939 . . . . 0.0 109.481 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.7 m -76.55 -26.63 55.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.72 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -26.07 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.105 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -55.26 122.25 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -56.01 25.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.079 . . . . 0.0 108.886 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 28.5 m-85 -91.6 38.62 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.772 1.295 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -60.95 -31.05 70.62 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.606 1.191 . . . . 0.0 110.331 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.0 -42.93 84.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.702 1.251 . . . . 0.0 109.118 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.27 -33.56 69.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -75.25 -53.53 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ARG . 4.3 t -55.49 -44.08 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 O-C-N 124.548 1.155 . . . . 0.0 109.085 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -49.05 73.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.07 -37.54 85.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.261 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' VAL . 4.0 m -68.21 -59.45 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.466 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -40.18 -40.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.415 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' LEU . 38.9 t-20 -74.81 -56.19 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -44.07 -48.91 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.301 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 pt -70.89 -53.93 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -47.82 -42.58 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.039 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -75.64 -46.95 28.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.629 1.206 . . . . 0.0 109.24 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.39 116.21 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.49 -30.59 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.861 1.351 . . . . 0.0 108.77 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -34.36 69.12 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.89 128.96 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 109.423 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.83 118.5 25.79 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 136.17 20.17 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.607 1.846 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.4 165.73 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -125.65 109.88 13.14 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.0 131.24 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.697 1.248 . . . . 0.0 109.0 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -85.18 117.1 23.92 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 124.635 1.209 . . . . 0.0 110.082 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.45 123.93 28.48 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.394 1.059 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.327 -0.374 0 O-C-N 124.362 1.039 . . . . 0.0 109.315 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.11 128.11 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.169 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.61 110.62 7.11 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.291 0.995 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.91 146.67 50.21 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.534 1.146 . . . . 0.0 109.535 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.23 139.24 32.49 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.949 1.406 . . . . 0.0 111.0 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -124.6 139.65 53.67 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 mt -106.76 112.26 25.15 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -120.28 128.26 53.14 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 125.029 1.455 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.89 165.29 38.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.7 p -119.34 141.96 48.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 0.719 . . . . 0.0 110.221 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 pt -115.43 148.35 40.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 O-C-N 124.93 1.394 . . . . 0.0 108.825 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.21 127.41 10.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.77 98.39 17.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 124.262 0.976 . . . . 0.0 109.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.24 128.42 11.29 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -100.28 -61.71 1.33 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.349 1.03 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.95 60.76 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.332 1.02 . . . . 0.0 110.286 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.79 -19.05 53.88 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.742 1.276 . . . . 0.0 111.023 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.78 156.26 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.1 m -115.43 130.23 56.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.781 1.301 . . . . 0.0 110.358 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.76 155.8 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -115.78 86.72 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.545 1.153 . . . . 0.0 109.219 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.11 114.08 29.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.84 128.82 11.93 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.507 1.793 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.15 138.93 48.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 124.914 1.384 . . . . 0.0 109.064 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 t -122.74 140.93 52.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.366 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.14 153.86 51.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.801 1.313 . . . . 0.0 109.529 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 87.9 m95 -125.73 126.43 44.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.22 170.56 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -150.6 166.67 29.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 124.58 1.175 . . . . 0.0 109.57 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.3 m-20 -94.99 -35.36 12.0 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.602 1.189 . . . . 0.0 109.112 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -166.63 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.475 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -83.62 162.27 53.67 Favored Pre-proline 0 N--CA 1.452 -0.37 0 O-C-N 124.585 1.178 . . . . 0.0 111.371 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . 0.424 ' N ' ' CD1' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 -41.68 0.96 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.11 -2.454 . . . . 0.0 110.893 -0.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -103.22 -51.73 3.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 124.417 1.073 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.571 ' OD1' ' CE2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER 164.91 -51.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 144.48 30.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.828 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.5 Cg_endo -74.99 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.5 141.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.6 m -122.26 117.12 25.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -153.21 154.27 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' GLY . 14.6 m -82.43 167.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.82 93.02 5.71 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 124.846 1.341 . . . . 0.0 109.244 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.23 158.02 41.53 Favored 'Trans proline' 0 C--N 1.363 1.337 0 O-C-N 124.003 1.528 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.8 p -94.85 -164.39 1.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.871 1.357 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -49.0 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.778 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -64.26 -54.75 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 110.743 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.524 ' CG2' ' C ' ' A' ' 142' ' ' PHE . 10.1 t -158.75 -162.46 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.469 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -150.61 133.49 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.521 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 41.17 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.5 p 42.74 -165.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.353 1.033 . . . . 0.0 110.446 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.56 177.32 38.38 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 124.434 1.084 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -43.66 94.72 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 125.203 1.178 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -126.72 33.21 5.0 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.164 . . . . 0.0 109.672 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 t -115.68 -5.7 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.191 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.04 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -104.28 -20.63 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.624 1.203 . . . . 0.0 109.406 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -104.04 36.23 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.558 1.161 . . . . 0.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . 45.55 43.47 10.91 Favored Glycine 0 CA--C 1.533 1.16 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -109.02 147.64 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.679 0.87 . . . . 0.0 109.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.26 101.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 33.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.08 149.83 80.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -22.66 14.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.413 ' CE2' ' OG ' ' A' ' 122' ' ' SER . 7.1 t80 -77.97 -26.41 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.72 -62.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -46.19 -42.14 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.85 40.45 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.645 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.8 t90 -81.29 111.57 17.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -119.08 71.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.54 159.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.4 Cg_endo -74.94 1.5 15.54 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 120' ' ' PRO . 49.2 mm-40 -35.48 -64.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.645 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.1 168.63 10.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.908 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -167.32 166.11 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -45.17 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.43 -62.37 1.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.51 -21.7 28.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 129' ' ' GLN . 0.8 OUTLIER -74.1 -71.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' LEU . 1.3 mp -39.69 -30.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.438 ' N ' ' C ' ' A' ' 127' ' ' LEU . 4.6 tm0? -57.93 -56.62 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.6 OUTLIER -52.34 -44.18 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 135' ' ' PHE . 30.4 mtt -61.33 -53.11 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.6 mt -45.08 -32.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -91.08 -62.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 130' ' ' VAL . 6.2 t -41.93 -45.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' MET . 15.2 m-85 -83.71 -32.25 25.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.54 -15.03 56.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.316 1.01 . . . . 0.0 110.957 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.62 -50.5 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.2 150.01 10.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 124.658 1.224 . . . . 0.0 110.28 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.57 7.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 -12.8 21.2 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.49 1.784 . . . . 0.0 110.721 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 21.4 m -101.42 128.41 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.567 1.167 . . . . 0.0 109.202 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.524 ' C ' ' CG2' ' A' ' 96' ' ' THR . 36.6 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.849 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' MET . 8.8 tp60 . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 120.725 0.297 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -45.74 -38.67 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.566 1.166 . . . . 0.0 109.161 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -65.98 -54.34 27.45 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.74 1.275 . . . . 0.0 109.188 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.03 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.769 1.293 . . . . 0.0 109.103 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 7' ' ' GLN . 4.7 mmt -69.14 -48.58 62.01 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 0.0 111.131 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 m -86.85 8.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.872 1.357 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 t -75.51 -3.73 35.73 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.543 1.152 . . . . 0.0 109.683 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -99.44 -32.59 11.07 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.986 1.429 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 1.9 m-85 -45.7 128.07 8.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.166 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -44.53 69.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.315 1.009 . . . . 0.0 109.057 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -87.92 -64.41 1.15 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.082 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.3 ttt180 66.65 -66.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.663 1.227 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' TYR . 11.4 t70 -45.51 -44.69 12.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.451 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.94 -53.2 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -53.58 -55.35 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' ARG . 11.4 t -57.89 -42.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 O-C-N 124.669 1.231 . . . . 0.0 108.952 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -54.26 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 4.0 tt0 -66.46 -28.85 68.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.314 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -74.31 -36.11 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -69.5 -39.47 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.42 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.6 t-20 -68.37 -58.2 4.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.62 1.2 . . . . 0.0 109.208 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 72.9 t -39.81 -58.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' TYR . 3.0 pt -62.97 -56.11 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.208 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -42.79 -45.21 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.295 0.997 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -77.97 -36.43 49.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ILE . 95.2 m-85 -134.74 84.69 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -56.7 -38.78 72.76 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -40.7 -38.12 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.56 1.162 . . . . 0.0 108.933 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.5 mp -75.58 128.89 36.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 134.63 22.41 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 124.529 1.143 . . . . 0.0 109.678 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.76 23.54 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.03 157.02 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 109.436 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.3 97.95 6.17 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.603 1.19 . . . . 0.0 109.122 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -104.3 124.98 50.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.301 1.0 . . . . 0.0 109.405 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 p -106.72 138.83 42.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.022 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -150.32 177.36 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.085 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -148.97 158.95 44.57 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.011 1.444 . . . . 0.0 110.665 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -108.79 115.48 30.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.61 146.53 45.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.226 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.7 ttp -95.51 109.68 21.86 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.55 1.157 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -96.49 138.84 33.47 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 124.432 1.083 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.2 mt -104.48 134.34 47.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.353 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -136.32 123.92 22.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.615 1.197 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 177.78 39.04 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 p -127.81 153.33 46.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 0.69 . . . . 0.0 110.15 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.0 mt -121.69 142.1 35.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.6 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.64 102.25 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.429 1.752 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.7 t -117.24 107.68 45.0 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 124.355 1.034 . . . . 0.0 109.421 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.363 1.301 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -118.89 -63.4 1.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -149.1 64.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.288 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.93 -13.39 67.21 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.388 1.055 . . . . 0.0 110.987 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -107.71 169.07 8.82 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.6 0.824 . . . . 0.0 109.158 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -125.84 119.19 27.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.81 1.319 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.78 164.75 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -119.57 86.94 2.65 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.357 1.035 . . . . 0.0 109.416 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.479 ' CG2' ' CD2' ' A' ' 135' ' ' PHE . 26.7 mm -69.6 113.61 18.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.28 128.06 10.97 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.415 1.745 . . . . 0.0 111.221 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.79 150.15 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.525 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -129.6 146.82 51.37 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.122 . . . . 0.0 108.465 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.03 157.5 46.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.382 1.051 . . . . 0.0 109.398 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -131.79 136.78 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 107.979 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.8 175.38 5.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.596 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.17 171.6 16.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 83.8 m-20 -92.28 -36.65 13.1 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 t -166.36 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.34 168.54 13.27 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.96 -35.6 2.87 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.05 0.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 13.1 m-85 -103.65 -57.05 2.1 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.384 1.052 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.6 m-20 160.55 -49.91 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 154.05 42.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.37 24.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.47 139.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.9 m -87.84 138.51 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.03 177.92 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.2 p -135.3 150.49 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.159 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -121.55 91.58 48.46 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.76 160.15 41.21 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.754 1.923 . . . . 0.0 110.966 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 p -105.83 -176.5 3.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -76.91 -53.61 7.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -41.93 31.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.61 174.08 6.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.456 1.097 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.0 p -129.22 -171.36 2.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.429 ' O ' ' CG2' ' A' ' 97' ' ' ILE . 0.7 OUTLIER -134.54 100.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.478 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 p -38.46 142.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.302 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.54 -142.73 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -74.56 -42.7 58.32 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -111.45 -50.65 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 m -52.21 97.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 124.739 1.274 . . . . 0.0 109.355 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.39 -175.38 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.375 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -14.6 61.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -112.26 32.23 5.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 44.34 39.55 5.63 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.612 1.195 . . . . 0.0 110.958 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.6 141.53 31.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.491 0.759 . . . . 0.0 109.07 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.69 101.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.328 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.31 37.14 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.5 mt -53.02 140.47 41.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -20.58 16.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -76.66 -53.32 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.97 -41.95 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -65.18 -52.81 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.23 33.98 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 113' ' ' TYR . 17.3 t90 -129.22 136.99 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.597 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -176.41 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.3 m-70 168.83 163.21 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.455 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -38.54 1.76 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.027 -0.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.463 ' O ' ' CD ' ' A' ' 121' ' ' GLN . 1.6 pp0? -111.63 57.33 0.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.8 p -69.68 121.15 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.064 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.6 -179.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' LEU . 14.1 mt -55.24 -48.38 74.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' LEU . 4.7 mp -40.31 -65.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . -56.17 -39.17 80.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 129' ' ' GLN . 0.2 OUTLIER -54.23 -71.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.6 mp -43.72 -27.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -58.63 -61.07 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -42.98 -47.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 48.8 mtt -57.45 -50.43 73.06 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -45.3 -34.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.54 -59.64 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 130' ' ' VAL . 55.3 t -42.44 -48.69 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.479 ' CD2' ' CG2' ' A' ' 70' ' ' ILE . 16.4 m-85 -81.28 -32.77 33.05 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.11 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.33 -26.82 51.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.336 1.022 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.7 OUTLIER -82.36 -50.5 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.467 0.745 . . . . 0.0 109.268 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 12.1 mt-10 -161.6 152.48 15.11 Favored Pre-proline 0 N--CA 1.446 -0.643 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.21 121.28 6.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.298 1.683 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -74.67 -24.73 13.27 Favored 'Trans proline' 0 C--N 1.364 1.375 0 O-C-N 124.531 1.806 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.0 m -50.98 -49.34 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.632 1.207 . . . . 0.0 109.208 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.165 0.916 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' MET . 11.4 tt0 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tt -52.89 -50.43 63.89 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 124.699 1.249 . . . . 0.0 109.225 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.47 -48.98 79.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.467 1.104 . . . . 0.0 109.471 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -58.32 -33.45 69.51 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.632 1.207 . . . . 0.0 109.622 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLN . 2.6 ttm -71.07 -49.52 43.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 124.777 1.298 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 26.9 m -88.82 13.41 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.508 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -81.3 -23.14 38.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 110.282 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -95.71 -20.18 19.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.005 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.0 125.03 26.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.51 -53.16 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 1.202 . . . . 0.0 109.181 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -89.06 36.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.945 1.403 . . . . 0.0 111.133 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' VAL . 6.3 ptt180 -46.45 -40.41 12.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.654 1.221 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -76.7 -41.21 46.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 53' ' ' MET . 1.4 m -72.44 -40.3 67.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.4 t -57.54 -46.91 86.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.661 1.226 . . . . 0.0 109.263 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -72.97 -40.92 64.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.78 -40.3 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.2 m -68.72 -58.28 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -48.22 -47.32 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.528 1.143 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' LEU . 5.6 t-20 -49.29 -69.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 0.0 109.264 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.4 t -40.4 -41.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TYR . 17.8 mt -66.9 -57.41 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . 70.2 m -54.71 -43.09 72.26 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.588 1.18 . . . . 0.0 110.175 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.0 mm? -62.48 -34.1 76.17 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.378 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ILE . 5.7 m-85 -139.71 108.6 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -76.18 57.52 1.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.564 1.165 . . . . 0.0 109.448 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.4 -48.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.954 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 110.12 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 148.61 34.9 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.357 0.977 0 O-C-N 124.272 1.67 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.47 159.08 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -150.53 108.87 3.77 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 124.35 1.032 . . . . 0.0 109.538 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -133.38 144.34 49.52 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.552 1.158 . . . . 0.0 109.531 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 p -87.7 128.18 35.3 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.326 1.016 . . . . 0.0 109.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -109.59 122.32 47.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.33 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -95.38 148.81 22.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.175 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.11 117.39 28.85 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.761 1.288 . . . . 0.0 110.534 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -127.01 148.43 50.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.615 1.197 . . . . 0.0 109.654 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 21' ' ' THR . 22.4 ptm -105.11 153.15 21.9 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.732 1.27 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -145.05 147.57 32.74 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.54 111.17 23.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.8 m -110.93 137.62 48.34 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.223 0.952 . . . . 0.0 110.649 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.26 -161.3 28.73 Favored Glycine 0 CA--C 1.528 0.863 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -140.28 143.36 35.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 0.702 . . . . 0.0 110.195 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 pt -112.41 152.6 44.68 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.607 1.192 . . . . 0.0 108.97 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.82 102.76 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.614 1.85 . . . . 0.0 111.129 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.8 93.69 46.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.354 1.034 . . . . 0.0 109.592 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.82 144.64 31.18 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.608 1.846 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -179.39 35.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.61 1.193 . . . . 0.0 110.926 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.08 34.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.261 0.975 . . . . 0.0 110.431 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.18 -7.12 76.93 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -148.7 -174.89 4.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 0.743 . . . . 0.0 109.447 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -97.19 141.57 30.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.182 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.09 162.74 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -107.02 82.23 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.367 1.042 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.6 mm -74.21 114.31 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.201 . . . . 0.0 109.288 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 130.97 13.91 Favored 'Trans proline' 0 C--N 1.362 1.288 0 O-C-N 124.605 1.845 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pt -135.88 157.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 O-C-N 124.269 0.981 . . . . 0.0 109.248 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.85 141.13 42.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -123.95 148.29 47.03 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.781 1.3 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 81.6 m95 -121.2 139.58 53.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 mp -120.59 -176.16 3.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -151.28 172.89 15.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.579 1.174 . . . . 0.0 109.224 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.4 -35.53 54.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.42 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.14 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -127.63 164.85 33.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 111.011 179.649 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.17 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.91 0.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -76.84 107.8 9.42 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.719 1.262 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 3.1 t-20 -48.12 -48.63 63.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.95 148.35 35.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.97 165.22 31.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.2 mp -102.02 144.35 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 85.9 m -93.16 131.99 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 108.235 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.0 162.34 35.44 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.644 1.215 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.421 ' CG2' ' CA ' ' A' ' 107' ' ' GLY . 8.7 m -120.81 157.37 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.285 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.98 91.56 42.33 Favored Pre-proline 0 N--CA 1.451 -0.375 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -74.62 159.34 42.73 Favored 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.803 1.949 . . . . 0.0 111.161 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 p -105.84 -152.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.697 1.248 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -44.77 4.97 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 t -59.19 -56.07 26.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.84 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -78.47 -174.61 3.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.7 1.25 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.8 t -134.26 -158.11 0.86 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -136.93 89.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.666 1.228 . . . . 0.0 109.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' PRO . 0.1 OUTLIER -64.48 86.15 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 p -41.29 139.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.285 0.99 . . . . 0.0 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.34 -163.68 9.78 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -29.33 60.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' TYR . 4.5 p80 -109.7 -28.83 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.6 t -82.66 98.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -74.84 -179.49 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.56 -2.83 51.45 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 109.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -109.87 18.08 20.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.421 ' CA ' ' CG2' ' A' ' 89' ' ' VAL . . . 57.54 38.49 87.67 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.442 1.088 . . . . 0.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.23 132.46 53.63 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.503 0.767 . . . . 0.0 109.397 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.9 mm -80.36 99.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -97.13 85.13 3.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 mt -100.45 108.75 54.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -5.43 16.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -55.44 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 117' ' ' TRP . 2.5 pp -81.57 -7.05 59.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -70.37 -46.33 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.31 9.87 16.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.404 ' O ' ' O ' ' A' ' 114' ' ' LEU . 23.1 t90 -129.37 154.85 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.952 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.6 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -166.99 104.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.378 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.6 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 63.01 165.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.37 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.027 -0.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -47.06 -50.11 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.927 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 127' ' ' LEU . 4.9 m-20 -148.25 -176.97 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mp -48.4 -38.17 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.505 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 1.0 OUTLIER -69.72 -59.91 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.6 -15.6 33.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 123' ' ' ASP . 16.7 mt -82.97 -53.97 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 mm -59.15 -16.61 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.12 -59.34 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.5 OUTLIER -44.65 -43.19 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 135' ' ' PHE . 35.6 mtt -64.88 -53.55 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.0 mt -44.9 -31.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -93.33 -63.26 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 130' ' ' VAL . 13.7 t -41.89 -42.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 131' ' ' MET . 6.1 m-85 -89.11 -30.28 18.75 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.26 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.6 70.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.65 -54.61 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.45 118.65 4.2 Favored Pre-proline 0 N--CA 1.447 -0.608 0 O-C-N 124.776 1.297 . . . . 0.0 110.486 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.51 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 18.7 Cg_endo -74.56 145.34 33.17 Favored 'Trans proline' 0 C--N 1.356 0.965 0 O-C-N 124.4 1.737 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 98' ' ' LYS . 17.9 Cg_endo -75.43 -24.33 12.26 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.251 1.658 . . . . 0.0 110.801 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 142' ' ' PHE . 0.3 OUTLIER -53.29 -48.45 55.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 124.958 1.411 . . . . 0.0 109.437 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.492 ' N ' ' CG1' ' A' ' 141' ' ' VAL . 1.4 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 tp -58.82 -41.78 87.63 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.986 1.429 . . . . 0.0 109.218 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -68.11 -48.58 65.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 109.158 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -22.62 67.02 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.78 1.3 . . . . 0.0 109.375 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 7' ' ' GLN . 13.7 mtt -78.04 -49.23 14.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.886 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 m -99.87 20.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.596 1.185 . . . . 0.0 108.901 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -78.49 1.27 22.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 124.215 0.947 . . . . 0.0 110.247 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -98.64 -13.61 20.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.583 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -65.79 164.51 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -98.6 -39.29 8.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.487 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' THR . 5.2 m-85 -101.48 36.27 2.07 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' VAL . 18.5 mtp180 -39.97 -71.04 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.759 1.287 . . . . 0.0 110.429 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 3.2 m-20 -39.93 -32.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.688 1.242 . . . . 0.0 109.392 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -77.65 -50.91 11.51 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.643 1.214 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' TYR . 8.7 m -62.46 -27.84 69.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 18' ' ' ARG . 6.6 t -77.25 -40.75 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.494 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.07 -52.51 64.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 12.7 pt-20 -63.56 -40.35 96.77 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m -61.78 -38.81 89.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -71.43 -45.96 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.407 -179.737 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LEU . 41.4 t-20 -64.95 -52.28 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.285 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 39.8 t -43.14 -62.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' TYR . 3.0 pt -62.01 -55.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m -42.5 -46.12 4.7 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.574 1.171 . . . . 0.0 110.526 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -67.29 -44.84 78.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.633 1.208 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 132' ' ' ILE . 38.0 m-85 -132.83 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -81.75 56.94 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.73 -46.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.926 1.391 . . . . 0.0 109.103 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.24 128.44 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 124.282 0.989 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 139.08 20.69 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 109.391 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -75.14 136.95 20.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 O-C-N 124.413 1.744 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.08 157.89 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.364 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -122.91 116.11 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.203 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -144.58 135.36 24.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.467 1.104 . . . . 0.0 109.024 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -100.58 159.07 15.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -129.64 114.65 16.29 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.383 1.052 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 O-C-N 124.918 1.386 . . . . 0.0 109.505 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.052 0.453 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.63 123.47 18.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.115 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.19 112.81 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.792 1.307 . . . . 0.0 110.4 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -132.95 149.35 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.595 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.14 124.56 47.95 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -104.01 156.14 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -116.11 100.89 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.175 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -105.34 136.67 44.44 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.361 1.038 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.5 174.51 39.74 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.557 1.161 . . . . 0.0 110.92 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -128.26 119.41 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 0.821 . . . . 0.0 110.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 mt -94.35 140.52 22.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.92 128.97 11.98 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.251 1.658 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.4 t -125.84 97.38 35.82 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.416 1.072 . . . . 0.0 109.16 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.14 93.07 0.97 Allowed 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.697 1.893 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 14.8 t80 -85.2 83.9 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.95 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.16 -36.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.456 1.097 . . . . 0.0 111.053 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -83.16 146.65 28.52 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.411 0.713 . . . . 0.0 109.497 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.6 m -108.54 136.62 47.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.184 0.927 . . . . 0.0 110.254 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -109.59 162.63 14.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -111.18 68.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.616 1.198 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.25 107.52 0.86 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.606 1.191 . . . . 0.0 109.267 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 136.0 19.93 Favored 'Trans proline' 0 C--N 1.362 1.289 0 O-C-N 124.578 1.831 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 pt -142.68 155.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.662 1.226 . . . . 0.0 109.036 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -140.0 139.35 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.56 158.77 25.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.983 1.427 . . . . 0.0 109.432 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -126.63 122.0 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.05 167.79 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -143.04 163.31 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.2 -38.75 26.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 t -175.52 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.418 1.074 . . . . 0.0 110.433 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.9 170.22 7.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 O-C-N 124.435 1.084 . . . . 0.0 111.085 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.71 -35.21 3.0 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.091 -2.462 . . . . 0.0 111.358 -0.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.438 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 69.6 m-85 -95.67 -65.86 0.95 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.563 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.6 m-20 160.36 -49.26 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 124.542 1.151 . . . . 0.0 109.106 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.5 Cg_endo -74.97 145.56 31.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mt -104.76 160.24 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 68.3 m -121.95 134.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.249 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -139.17 132.76 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.51 138.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.384 1.053 . . . . 0.0 109.541 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -105.8 112.48 64.43 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.824 1.327 . . . . 0.0 109.261 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.363 1.302 0 O-C-N 124.264 1.665 . . . . 0.0 110.817 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.9 p -136.94 163.52 30.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.551 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -87.3 -32.43 19.68 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.425 1.078 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -41.35 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.722 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.447 ' CG ' ' CG1' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -140.63 147.03 38.7 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -60.84 -161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' N ' ' OG1' ' A' ' 96' ' ' THR . 13.3 tt -124.4 126.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.396 1.06 . . . . 0.0 108.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -79.8 104.7 10.56 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.106 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.8 p -83.24 143.1 30.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.335 1.022 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.46 -128.2 1.43 Allowed Glycine 0 CA--C 1.533 1.199 0 O-C-N 124.471 1.107 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -85.46 -62.22 1.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 124.746 0.909 . . . . 0.0 109.317 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' TYR . 6.3 p80 -70.81 -48.77 52.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -74.51 94.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.59 1.181 . . . . 0.0 109.136 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.74 -19.1 38.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.739 1.274 . . . . 0.0 109.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.52 34.01 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.202 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 44.22 53.84 6.51 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.579 1.174 . . . . 0.0 110.939 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -117.8 149.24 41.13 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.646 0.851 . . . . 0.0 109.466 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.4 mm -80.64 102.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.732 1.27 . . . . 0.0 109.268 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 102' ' ' HIS . 1.3 t80 -110.23 50.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.23 150.2 85.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -18.18 18.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -28.41 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -33.21 59.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.12 36.29 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.539 ' CG ' ' OG ' ' A' ' 122' ' ' SER . 2.8 t90 -82.11 102.22 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.616 1.197 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.574 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -139.88 14.17 2.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.574 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.63 163.48 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.3 Cg_endo -75.08 -15.34 22.56 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.99 0.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -36.74 -66.53 0.22 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.539 ' OG ' ' CG ' ' A' ' 117' ' ' TRP . 15.3 t -93.42 164.08 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -179.68 149.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 128' ' ' ILE . 0.2 OUTLIER -40.23 -38.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.27 -59.85 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.94 -20.36 40.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 123' ' ' ASP . 1.6 mm? -68.58 -53.7 21.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -69.49 -19.42 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.38 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.21 -56.31 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -54.27 -46.8 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.462 ' O ' ' CG ' ' A' ' 135' ' ' PHE . 43.0 mtt -57.88 -39.81 78.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 mt -63.5 -30.35 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' VAL . 57.6 t -86.52 -64.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 130' ' ' VAL . 6.7 t -40.49 -50.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.462 ' CG ' ' O ' ' A' ' 131' ' ' MET . 10.7 m-30 -76.96 -31.24 56.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.558 1.162 . . . . 0.0 111.226 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.53 -12.18 51.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.366 1.041 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.66 -48.7 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.02 151.8 18.14 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.791 1.307 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.82 113.76 3.87 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 17.9 Cg_endo -75.47 -0.03 9.64 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 98' ' ' LYS . 57.6 t -86.73 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.269 0.981 . . . . 0.0 109.2 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--N 1.327 -0.389 0 O-C-N 124.224 0.952 . . . . 0.0 110.923 -179.891 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -36.42 67.82 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.808 1.317 . . . . 0.0 109.284 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -78.83 -29.45 44.69 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -46.96 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.419 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.0 ptp -62.47 -36.32 82.09 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 124.848 1.343 . . . . 0.0 110.994 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 m -90.12 -3.72 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 124.708 1.255 . . . . 0.0 108.906 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 t -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 -35.96 37.49 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.267 0.979 . . . . 0.0 109.096 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.581 ' CE1' ' OD1' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -51.19 111.17 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.659 1.224 . . . . 0.0 111.04 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -45.42 -64.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.047 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.9 m-30 -80.14 52.63 1.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 125.117 1.511 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -63.06 -52.68 61.8 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.325 1.016 . . . . 0.0 110.016 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.72 -37.4 50.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.374 1.046 . . . . 0.0 109.315 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -52.84 8.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.859 1.35 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' TYR . 16.8 m -53.8 -42.69 68.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ARG . 24.5 t -66.47 -39.85 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 O-C-N 124.536 1.148 . . . . 0.0 109.679 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -59.79 -52.03 67.2 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.417 1.073 . . . . 0.0 110.177 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -67.84 -35.28 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -64.45 -43.95 92.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.03 -42.46 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.365 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' LEU . 7.7 m-80 -63.97 -49.88 70.77 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.189 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 23.7 t -49.57 -71.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 32' ' ' TYR . 2.8 pt -43.57 -54.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 m -53.92 -42.37 68.68 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.151 . . . . 0.0 110.059 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -52.48 -43.62 65.12 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.669 1.23 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.51 ' CE1' ' CG2' ' A' ' 59' ' ' ILE . 22.6 m-85 -104.17 -175.16 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 51.6 mmtt -141.02 51.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.883 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 m-20 173.54 52.28 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.22 0.95 . . . . 0.0 109.416 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.12 152.03 36.41 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.47 110.53 5.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.202 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.45 134.92 17.64 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 124.556 1.819 . . . . 0.0 110.762 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -121.2 162.68 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -137.43 108.08 6.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.608 1.193 . . . . 0.0 108.861 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.84 132.44 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.6 p -107.28 148.82 28.49 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -131.05 119.55 22.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.35 1.031 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.323 -0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.225 179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -97.92 114.96 27.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.365 1.041 . . . . 0.0 110.404 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -83.45 113.5 20.81 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.548 1.155 . . . . 0.0 110.231 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -119.78 148.05 43.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.384 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.2 ptm -115.5 133.0 56.45 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 124.759 1.287 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.61 144.16 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.3 mt -109.07 115.83 30.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.374 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 t -122.19 142.71 50.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.706 1.254 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.49 170.66 43.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 p -121.02 118.2 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.51 ' CG2' ' CE1' ' A' ' 32' ' ' TYR . 7.6 pt -92.28 150.94 41.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.098 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.25 147.13 32.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.391 1.732 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -149.85 110.01 3.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.434 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.67 95.36 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.83 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.8 t80 -88.62 82.97 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.558 1.162 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 4.2 mmm180 88.06 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.87 -30.78 0.15 Allowed Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.48 1.112 . . . . 0.0 111.072 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.45 152.97 33.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.276 0.633 . . . . 0.0 109.712 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -92.96 118.09 30.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.181 0.926 . . . . 0.0 110.463 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -102.37 150.29 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -120.05 86.94 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.37 123.54 74.78 Favored Pre-proline 0 C--N 1.32 -0.692 0 O-C-N 124.38 1.05 . . . . 0.0 109.309 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.475 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 18.7 Cg_endo -75.05 156.04 42.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.591 1.838 . . . . 0.0 111.244 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 2.7 pp -157.66 133.78 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.734 1.272 . . . . 0.0 109.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.86 153.68 30.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.552 1.158 . . . . 0.0 108.06 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.83 125.86 12.08 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.004 1.44 . . . . 0.0 109.319 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 50.9 m95 -97.42 143.77 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 108.042 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -113.88 179.44 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.24 -179.05 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.581 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -112.03 -32.08 6.69 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 124.669 1.231 . . . . 0.0 109.172 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 173.81 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.65 165.36 17.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -74.75 -56.79 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.077 -0.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -67.16 102.74 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.639 1.212 . . . . 0.0 111.073 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.653 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -59.09 -43.64 97.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.0 Cg_endo -75.03 140.08 24.96 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.483 1.78 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 165.52 31.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.419 1.747 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.97 148.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 84.7 m -124.59 133.55 53.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 7.1 p90 -166.55 149.74 6.99 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 107' ' ' GLY . 11.1 p -87.9 147.74 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.221 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.87 128.63 47.29 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.557 1.161 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.81 144.8 31.42 Favored 'Trans proline' 0 C--N 1.355 0.902 0 O-C-N 124.872 1.985 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.5 p -117.34 -179.13 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.9 p -81.21 -38.69 26.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.394 1.058 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -87.74 -53.32 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.7 mtm -86.12 165.26 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.562 1.164 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.3 t -137.74 -153.42 0.48 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.634 1.208 . . . . 0.0 110.666 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 17.8 mt -132.22 114.38 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.404 1.065 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.38 96.64 3.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.118 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.0 p -54.74 135.9 46.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.24 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.28 -136.52 2.21 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -86.27 -61.01 1.84 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -33.9 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.661 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.6 t -89.29 86.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.414 1.071 . . . . 0.0 109.177 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.87 -159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.659 1.224 . . . . 0.0 109.471 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.34 -17.34 37.09 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.261 0.976 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.51 29.14 5.0 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.461 1.101 . . . . 0.0 109.417 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . 43.03 26.91 0.54 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.574 1.171 . . . . 0.0 111.171 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -84.9 144.9 28.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 124.381 0.695 . . . . 0.0 109.153 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.47 98.34 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 29.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.2 153.78 4.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.11 18.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -44.55 23.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.84 -43.3 84.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -60.52 -38.59 84.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.613 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 32.77 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.523 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.4 t90 -83.81 109.2 17.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.066 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -120.07 74.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.434 ' ND1' ' C ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -41.62 162.19 0.13 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.6 Cg_endo -74.98 1.88 15.34 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.053 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 120' ' ' PRO . 37.9 mm-40 -34.65 -65.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.523 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.03 162.41 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -158.93 158.79 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 128' ' ' ILE . 6.3 mp -45.01 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -51.3 -55.09 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.83 -43.14 99.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -61.88 -62.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 124' ' ' LEU . 26.2 mm -45.1 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -59.15 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -51.06 -46.69 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.594 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 9.7 mtt -61.72 -30.42 70.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.08 -31.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.44 -61.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 130' ' ' VAL . 46.6 t -40.61 -49.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 131' ' ' MET . 10.8 m-30 -79.56 -31.98 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.12 -21.23 45.68 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.3 OUTLIER -95.82 -50.13 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 9.6 mt-10 -164.72 127.65 1.63 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.446 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 150.46 38.01 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.79 -32.34 5.8 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.585 1.834 . . . . 0.0 111.17 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 142' ' ' PHE . 1.2 p -55.98 165.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 124.869 1.356 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 141' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.397 1.061 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.578 0.228 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.65 -45.88 84.91 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 124.741 1.276 . . . . 0.0 109.4 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' SER . 7.6 mttt -71.36 -62.29 1.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.95 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -45.45 -29.37 1.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ttm -69.44 -49.62 53.38 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.664 1.228 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.62 20.16 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.404 1.065 . . . . 0.0 109.459 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.4 m -82.31 -35.96 27.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.595 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -34.82 42.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.226 0.954 . . . . 0.0 109.336 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 4.9 m-85 -54.71 166.41 0.48 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -53.27 3.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.394 1.059 . . . . 0.0 109.344 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.45 36.9 0.89 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.329 1.018 . . . . 0.0 111.021 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' VAL . 17.9 ptt180 -42.73 -33.75 0.79 Allowed 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.693 1.246 . . . . 0.0 110.337 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -46.31 77.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 109.135 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -70.38 -33.93 71.98 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.714 1.259 . . . . 0.0 109.209 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -72.19 -51.55 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.458 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ARG . 15.5 t -58.86 -41.59 83.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.547 1.155 . . . . 0.0 109.666 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.93 -52.67 64.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.382 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -38.44 80.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.339 1.025 . . . . 0.0 110.364 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.28 -37.51 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -70.09 -42.6 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.116 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.8 t-20 -67.59 -54.03 23.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.657 1.223 . . . . 0.0 109.164 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -42.01 -60.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.0 pt -61.94 -56.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -42.75 -44.91 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -69.38 -44.99 70.38 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.756 1.285 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -127.57 113.71 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -85.16 57.77 4.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.333 1.021 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -47.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.19 126.3 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.612 1.195 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 130.44 22.77 Favored Pre-proline 0 N--CA 1.449 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.644 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -74.42 135.94 20.97 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.367 1.719 . . . . 0.0 111.272 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.88 159.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.678 1.236 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -136.05 104.2 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.535 1.147 . . . . 0.0 109.449 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 145.78 50.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 p -106.25 155.87 19.05 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 109.894 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -147.52 161.71 40.54 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.509 0 O-C-N 124.418 1.073 . . . . 0.0 109.604 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 148.42 31.78 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.457 1.098 . . . . 0.0 110.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.51 123.61 45.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 124.807 1.317 . . . . 0.0 110.413 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -133.41 154.87 50.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.433 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 ttm -103.14 119.96 39.81 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.739 1.274 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -106.56 124.92 50.33 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.11 116.34 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.452 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -122.06 132.98 54.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.01 177.26 35.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.079 . . . . 0.0 111.076 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 p -119.92 119.08 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 0.767 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.07 139.58 20.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 108.995 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 130.79 13.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 2.5 t -123.13 81.82 51.51 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.606 1.191 . . . . 0.0 109.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 133.19 16.2 Favored 'Trans proline' 0 C--N 1.364 1.377 0 O-C-N 124.667 1.877 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -178.89 39.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.8 34.85 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.22 -20.27 17.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -128.99 179.57 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.014 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -115.11 141.24 48.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.785 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.06 175.12 7.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.403 1.064 . . . . 0.0 110.893 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -125.79 71.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.297 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.5 mt -90.75 113.12 56.82 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 124.678 1.236 . . . . 0.0 109.285 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 18.3 Cg_endo -74.92 162.92 36.48 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 O-C-N 124.349 1.71 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 2.1 pp -153.05 134.47 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 t -112.78 148.7 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 108.38 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 tt -140.54 121.82 14.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.474 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 96.1 m95 -93.43 135.21 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.69 177.58 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -150.14 172.95 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.31 -36.85 17.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -178.33 -32.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -102.08 169.2 7.92 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.628 1.205 . . . . 0.0 111.042 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.94 -36.07 2.71 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.928 -0.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.425 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 20.8 m-85 -91.69 -69.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.351 1.032 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.3 m-20 161.08 -50.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.03 154.18 42.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.474 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.0 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.38 139.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.6 m -82.72 136.81 34.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.95 169.5 19.73 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.62 1.2 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.64 151.77 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.223 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.4 90.17 41.85 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.717 1.261 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.12 140.03 24.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.213 1.638 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -97.0 -174.02 2.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.676 1.235 . . . . 0.0 110.246 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.01 -49.13 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.338 1.024 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.83 76.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.927 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -93.99 -179.41 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 10.2 t -128.45 -158.32 0.87 Allowed 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.471 1.107 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.7 OUTLIER -131.9 141.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.191 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 142' ' ' PHE . 3.6 tttm -99.24 75.55 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -46.66 136.74 7.54 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.76 -136.61 2.02 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.56 1.162 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.74 -32.84 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -103.63 -27.71 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.363 1.039 . . . . 0.0 109.511 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.58 -21.87 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.411 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.82 -161.19 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.72 1.262 . . . . 0.0 109.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.5 -24.49 13.43 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.811 1.319 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -102.94 29.73 5.24 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 124.53 1.144 . . . . 0.0 109.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 43.1 52.25 5.89 Favored Glycine 0 CA--C 1.534 1.225 0 O-C-N 124.588 1.18 . . . . 0.0 110.998 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -113.79 114.91 26.96 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.756 0.915 . . . . 0.0 109.393 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 111' ' ' LEU . 12.6 mm -54.23 96.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 O-C-N 124.504 1.128 . . . . 0.0 109.155 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 31.57 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.417 ' CD1' ' CG2' ' A' ' 109' ' ' ILE . 29.8 mt -52.53 118.9 13.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.41 20.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 117' ' ' TRP . 4.5 m-85 -85.82 -59.73 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.0 -38.64 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.72 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -102.67 36.8 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.435 ' NE1' ' O ' ' A' ' 119' ' ' HIS . 10.5 t90 -100.83 -103.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 107.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 40.45 72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.251 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.435 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 171.26 150.86 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -8.54 23.42 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.098 -0.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -165.28 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' GLN . 0.4 OUTLIER -39.39 158.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.09 -179.92 8.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 mt -46.28 -50.36 16.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.08 -56.47 12.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.63 -35.09 61.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 129' ' ' GLN . 4.2 mp -59.97 -73.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.19 -27.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 127' ' ' LEU . 12.1 tt0 -59.38 -60.78 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.5 OUTLIER -48.82 -45.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 135' ' ' PHE . 38.8 mtt -58.27 -54.48 46.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.65 -29.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.94 -63.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 130' ' ' VAL . 17.6 t -43.0 -40.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 131' ' ' MET . 6.2 m-85 -89.49 -30.58 18.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.4 -18.87 70.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.386 1.054 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.73 -41.02 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -146.07 118.42 5.06 Favored Pre-proline 0 N--CA 1.45 -0.462 0 O-C-N 124.132 0.895 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.66 113.46 3.8 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.22 -0.29 9.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.41 1.742 . . . . 0.0 110.786 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.19 -25.79 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 124.076 0.86 . . . . 0.0 109.17 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' LYS . 2.5 t80 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.173 0.921 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.96 -45.75 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.17 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -65.37 -58.93 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 0.0 109.109 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -52.87 -24.65 9.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.209 0.943 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLN . 22.6 mtt -81.76 -43.14 18.79 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.132 0.895 . . . . 0.0 111.247 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.8 m -89.49 13.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 t -78.83 -38.25 38.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.087 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -72.6 -28.46 62.8 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.848 1.343 . . . . 0.0 108.854 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -58.31 145.41 37.99 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.711 1.257 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -82.42 -57.35 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.4 m-85 -84.99 44.96 1.12 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.649 1.218 . . . . 0.0 111.041 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' VAL . 11.5 ttt180 -56.09 -67.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.141 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -28.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.376 1.047 . . . . 0.0 109.488 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -81.78 -49.75 10.04 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' TYR . 15.8 m -63.15 -51.01 68.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.0 t -58.52 -42.99 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 O-C-N 124.5 1.125 . . . . 0.0 109.505 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.09 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.394 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.75 -35.72 78.92 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 124.569 1.168 . . . . 0.0 110.383 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -69.75 -59.79 2.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -40.76 -39.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.284 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.1 t-20 -70.77 -61.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASN . 22.1 t -39.37 -54.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.331 1.019 . . . . 0.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' TYR . 2.8 pt -65.19 -55.2 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.4 m -44.95 -45.08 10.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.829 1.331 . . . . 0.0 109.937 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -72.71 -41.5 65.2 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.795 1.31 . . . . 0.0 109.18 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.9 m-85 -128.88 86.2 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -41.07 69.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.915 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -41.71 -45.82 3.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.281 0.988 . . . . 0.0 109.435 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.13 131.1 45.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.622 1.201 . . . . 0.0 109.303 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.67 128.84 25.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.62 1.2 . . . . 0.0 109.472 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 142.28 28.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.563 1.823 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.27 164.8 32.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.589 1.18 . . . . 0.0 109.203 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -127.56 109.82 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.033 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.14 122.09 46.78 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.7 p -98.81 135.46 40.24 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.786 1.304 . . . . 0.0 110.104 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.7 168.96 18.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.422 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 162.94 39.27 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.349 1.031 . . . . 0.0 110.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -107.08 120.29 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.616 1.197 . . . . 0.0 110.444 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -131.17 118.82 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.7 ttp -79.46 156.41 27.86 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.39 132.45 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.86 119.69 29.58 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.316 1.01 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.2 m -124.17 132.24 53.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 124.459 1.1 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.76 40.54 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.365 1.041 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -120.67 117.26 27.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.3 mt -97.02 141.47 23.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 108.982 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.82 128.85 11.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.587 1.835 . . . . 0.0 111.173 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.25 115.1 15.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.618 1.199 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.4 124.09 8.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.409 1.742 . . . . 0.0 110.839 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -93.18 -65.26 1.01 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.89 58.97 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.78 -20.45 36.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -109.37 168.4 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.716 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.9 m -118.92 128.81 54.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.179 0.925 . . . . 0.0 110.604 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.88 157.91 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.264 0.977 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -108.93 89.69 3.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.342 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.1 mm -79.96 114.31 45.31 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.12 139.7 24.29 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.385 1.729 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.76 146.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 O-C-N 124.372 1.045 . . . . 0.0 109.228 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.8 t -134.79 132.75 39.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.472 1.108 . . . . 0.0 108.219 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -118.88 102.02 8.48 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 124.535 1.147 . . . . 0.0 109.441 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -70.11 147.69 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -131.42 171.73 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.534 ' N ' ' CD1' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.71 178.4 7.66 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.535 1.147 . . . . 0.0 109.391 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.66 -31.39 19.79 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.406 1.066 . . . . 0.0 109.408 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.51 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -121.97 160.6 46.5 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -74.86 -55.44 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.176 -0.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.38 115.66 18.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 m-20 -51.28 -45.72 89.48 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.462 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.0 149.59 36.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.61 33.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -104.35 140.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.1 m -92.7 149.71 21.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -160.86 156.89 25.74 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.72 1.262 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.02 99.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.841 1.338 . . . . 0.0 109.194 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -66.79 112.7 10.3 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.169 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -177.06 3.22 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.299 1.684 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -139.5 -173.81 3.71 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.696 1.247 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -81.73 -15.61 53.8 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.534 1.146 . . . . 0.0 109.785 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 -46.62 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.135 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.52 174.28 0.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.513 1.133 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.43 -41.89 1.52 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.532 1.145 . . . . 0.0 110.115 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 73.58 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -110.85 166.25 11.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.35 1.032 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.0 p -109.58 135.8 49.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.679 1.237 . . . . 0.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.74 -161.29 17.0 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 3.8 mttm -99.89 -17.28 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.331 0.665 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -109.88 -6.19 15.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.81 -41.44 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.519 1.137 . . . . 0.0 109.043 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.8 -169.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.355 1.034 . . . . 0.0 109.28 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.12 -18.64 14.85 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.205 0.941 . . . . 0.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -100.17 26.82 6.11 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 124.316 1.01 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 49.28 24.09 4.73 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.648 1.218 . . . . 0.0 111.007 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -78.61 141.87 37.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.0 mm -89.42 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.45 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.5 m-30 -98.06 44.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.063 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.9 mt -70.9 155.08 93.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.376 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.55 10.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.94 -57.93 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -35.86 79.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -64.96 -42.97 94.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.5 30.76 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CD1' ' C ' ' A' ' 117' ' ' TRP . 3.8 t90 -81.7 117.09 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.33 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.05 161.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.65 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.32 15.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.018 0.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.69 41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.402 ' C ' ' CG ' ' A' ' 123' ' ' ASP . 63.1 p -93.34 114.0 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 122' ' ' SER . 0.0 OUTLIER 167.35 134.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -21.03 65.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.79 -54.4 35.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.69 -28.94 66.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.93 -74.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 2.8 mp -48.7 -23.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -59.63 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -47.23 -50.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.51 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 53.8 mtt -54.67 -52.99 60.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.46 -32.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -90.75 -62.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 130' ' ' VAL . 3.8 t -41.23 -45.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 131' ' ' MET . 19.9 m-85 -82.98 -32.74 26.87 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 124.504 1.128 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.82 -14.83 56.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.349 1.031 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -90.08 -43.61 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -169.96 160.6 6.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 117.01 4.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.566 1.824 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.24 0.38 9.08 Favored 'Trans proline' 0 C--N 1.356 0.962 0 O-C-N 124.528 1.804 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.33 122.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--N 1.323 -0.554 0 O-C-N 124.713 1.258 . . . . 0.0 111.076 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.394 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -42.87 82.09 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.624 1.203 . . . . 0.0 109.297 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' SER . 5.5 ttpt -54.13 -54.68 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.317 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -29.49 61.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.588 1.18 . . . . 0.0 109.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.83 61.08 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.148 0.905 . . . . 0.0 111.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 m -96.12 15.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 O-C-N 124.915 1.384 . . . . 0.0 109.44 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LYS . 29.3 t -77.2 -9.31 58.7 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.53 1.144 . . . . 0.0 109.879 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -89.18 -37.3 15.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.439 1.087 . . . . 0.0 108.998 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -38.19 123.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 111.135 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.35 -45.91 83.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' THR . 14.3 m-85 -97.46 32.51 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.711 1.257 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -44.91 18.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 1.175 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -80.31 -47.55 14.35 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 3.5 m -59.74 -54.13 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.93 -41.7 80.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -61.13 -51.63 68.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.2 -31.99 72.58 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' VAL . 20.2 m -74.25 -57.92 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -40.14 -41.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.5 t-20 -73.43 -53.86 9.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.352 1.033 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -45.77 -51.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' TYR . 2.4 pt -68.99 -53.44 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.1 m -47.68 -42.96 26.04 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.597 1.186 . . . . 0.0 110.643 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -71.44 -38.81 71.33 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.505 ' CE2' ' CG2' ' A' ' 128' ' ' ILE . 58.4 m-85 -130.1 88.07 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -49.87 -37.92 33.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 124.517 1.136 . . . . 0.0 109.845 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.84 -47.64 42.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 109.229 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.25 127.96 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.382 1.051 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -126.83 144.6 50.66 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 146.16 31.99 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.502 1.79 . . . . 0.0 110.938 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.02 168.42 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.148 0.905 . . . . 0.0 109.152 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.22 112.27 12.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.688 1.243 . . . . 0.0 109.231 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -124.41 108.69 12.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -94.66 123.6 38.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 125.017 1.448 . . . . 0.0 110.023 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -99.81 148.54 24.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.646 1.216 . . . . 0.0 110.786 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.321 -0.631 0 O-C-N 124.349 1.031 . . . . 0.0 109.219 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -106.43 128.22 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.923 1.389 . . . . 0.0 109.956 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.88 103.05 6.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.82 1.325 . . . . 0.0 110.477 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -116.04 119.99 37.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.6 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 16.2 ptm -81.35 149.38 28.92 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.749 1.281 . . . . 0.0 111.017 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -134.47 141.66 46.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.4 mt -101.42 112.6 25.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -123.69 154.99 38.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.14 176.26 45.1 Favored Glycine 0 CA--C 1.532 1.132 0 O-C-N 124.419 1.075 . . . . 0.0 110.979 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -118.83 118.79 32.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.5 mt -89.83 142.5 29.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.699 1.25 . . . . 0.0 109.066 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.24 109.88 3.0 Favored 'Trans proline' 0 C--N 1.363 1.305 0 O-C-N 124.81 1.953 . . . . 0.0 111.027 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.0 t -114.78 93.25 32.95 Favored Pre-proline 0 N--CA 1.453 -0.298 0 O-C-N 124.647 1.217 . . . . 0.0 109.116 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.49 153.49 39.52 Favored 'Trans proline' 0 C--N 1.363 1.296 0 O-C-N 124.634 1.86 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -155.61 113.31 3.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.21 35.85 18.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.353 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.95 2.25 84.13 Favored Glycine 0 CA--C 1.526 0.747 0 O-C-N 124.67 1.232 . . . . 0.0 111.148 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -91.48 -178.34 5.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.073 0.513 . . . . 0.0 109.646 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.1 m -148.99 121.31 8.41 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.183 0.927 . . . . 0.0 110.439 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.69 161.45 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -117.17 84.91 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.3 mm -80.65 114.1 45.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 O-C-N 124.539 1.149 . . . . 0.0 109.395 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 151.92 40.14 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.509 1.794 . . . . 0.0 111.167 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.55 154.94 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.419 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.0 t -135.52 141.26 45.22 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.427 1.079 . . . . 0.0 108.256 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 140.66 47.52 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.988 1.43 . . . . 0.0 109.329 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 73.0 m95 -109.05 133.0 53.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -111.74 171.53 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.66 169.06 21.23 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 124.494 1.121 . . . . 0.0 109.447 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.96 -37.63 29.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 t -176.08 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -99.56 162.57 20.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.89 -55.96 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.129 -2.446 . . . . 0.0 110.987 -0.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.429 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 96.1 m-85 -71.94 -71.24 0.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.753 1.283 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.54 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER 160.08 -50.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 124.413 1.07 . . . . 0.0 109.372 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 151.08 39.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.04 167.58 26.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -104.19 155.02 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 87.3 m -95.74 142.46 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -154.69 176.12 12.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.78 160.18 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.663 1.227 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 92.22 4.21 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 125.072 1.482 . . . . 0.0 109.197 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.35 174.65 12.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 O-C-N 124.316 1.693 . . . . 0.0 110.763 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -174.59 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.388 1.055 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -30.79 19.71 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.491 1.119 . . . . 0.0 110.124 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -54.06 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.945 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -79.78 -174.9 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -125.3 -160.97 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.427 1.079 . . . . 0.0 110.18 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.458 ' N ' ' OG1' ' A' ' 96' ' ' THR . 4.7 tt -127.67 145.13 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -114.07 81.52 1.55 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 p -82.51 138.83 34.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.293 0.996 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.25 -89.55 0.09 OUTLIER Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.484 1.115 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -43.54 -72.89 0.05 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.435 ' O ' ' CE1' ' A' ' 110' ' ' TYR . 0.5 OUTLIER -120.24 -39.95 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.805 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.75 116.76 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.371 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -168.62 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.87 61.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.72 1.262 . . . . 0.0 109.259 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -108.61 22.36 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.609 1.193 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 50.89 33.77 28.93 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -90.77 143.12 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 0.835 . . . . 0.0 109.435 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 mm -102.1 99.3 8.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.899 1.374 . . . . 0.0 109.271 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 28.6 p90 -109.05 39.83 1.96 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 mt -42.86 155.09 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.07 10.31 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -47.26 70.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -42.27 75.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -40.39 95.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.601 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -102.54 34.48 2.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.662 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 2.8 t90 -80.88 118.73 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.8 OUTLIER -121.66 76.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -41.41 162.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.3 Cg_endo -75.02 1.94 15.39 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.059 -2.475 . . . . 0.0 111.033 0.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.3 mp0 -32.65 -63.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -92.94 172.67 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -178.51 169.36 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.74 -36.47 72.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.31 -56.79 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.16 -33.93 88.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.01 -56.57 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.786 . . . . 0.0 109.269 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.505 ' CG2' ' CE2' ' A' ' 32' ' ' TYR . 2.0 mp -68.49 -17.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -56.56 4.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.8 p -51.14 -35.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 135' ' ' PHE . 5.7 mtt -66.33 -54.78 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.38 -32.27 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.372 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -87.34 -61.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 t -43.95 -48.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 131' ' ' MET . 4.6 m-85 -74.31 -34.06 63.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.87 -19.54 63.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.279 0.987 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.7 -50.82 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.386 0.698 . . . . 0.0 109.338 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.36 114.09 10.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.407 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.13 113.59 3.82 Favored 'Trans proline' 0 C--N 1.356 0.948 0 O-C-N 124.411 1.743 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.22 33.78 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.444 1.76 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 25.0 t -108.77 -15.54 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.471 0.177 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 12' ' ' VAL . 6.9 mp -61.69 -48.17 81.98 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -48.99 -56.82 7.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -33.69 34.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.147 0.905 . . . . 0.0 109.796 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -75.96 -43.86 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' LEU . 35.5 m -88.02 13.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.525 1.14 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 31.2 t -62.4 -25.33 67.88 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 124.619 1.199 . . . . 0.0 109.876 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -27.36 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.871 1.357 . . . . 0.0 109.415 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 1.1 m-85 -45.16 122.29 3.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -57.16 13.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.438 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 35.3 m-85 -92.1 39.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.661 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.45 -29.97 69.36 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.372 1.045 . . . . 0.0 110.092 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -78.16 -40.41 37.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.527 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -34.94 71.63 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -76.4 -55.26 5.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' ARG . 42.9 t -52.41 -38.23 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 124.458 1.099 . . . . 0.0 109.515 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -68.29 -49.19 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.8 -41.48 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 29' ' ' ILE . 3.0 m -61.12 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -42.07 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.667 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.0 t-20 -64.95 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.353 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 69.1 t -39.56 -30.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 25' ' ' THR . 5.4 mm -73.77 -53.97 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.3 m -66.0 -42.25 89.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.4 tp -46.62 -31.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.282 0.989 . . . . 0.0 109.248 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ILE . 1.7 m-85 -124.72 -179.6 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -144.32 78.33 1.57 Allowed 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.563 1.165 . . . . 0.0 109.029 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t0 178.44 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.576 1.172 . . . . 0.0 109.217 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.99 127.76 32.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -116.39 130.41 24.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 124.649 1.218 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.1 137.33 21.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.648 1.867 . . . . 0.0 111.099 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -123.71 168.93 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.124 0.89 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.49 109.89 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -133.51 134.22 43.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -95.59 145.73 25.01 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.971 1.419 . . . . 0.0 109.861 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.49 133.06 56.39 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.648 1.217 . . . . 0.0 110.89 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 C--N 1.321 -0.649 0 O-C-N 124.839 1.337 . . . . 0.0 109.123 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 139.32 46.24 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.98 122.32 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.828 1.33 . . . . 0.0 109.927 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' CD1' ' OH ' ' A' ' 15' ' ' TYR . 4.5 mm? -128.87 134.12 48.18 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.78 169.6 17.56 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.181 0.926 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.602 ' OD1' ' CE3' ' A' ' 75' ' ' TRP . 14.8 m-80 -157.77 146.1 19.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.9 mt -122.86 107.42 11.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.598 1.186 . . . . 0.0 109.42 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -116.96 145.76 43.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.348 1.03 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.18 -170.18 43.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -132.16 137.24 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.334 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.49 141.84 23.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.346 1.029 . . . . 0.0 109.442 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.59 123.23 7.93 Favored 'Trans proline' 0 C--N 1.358 1.041 0 O-C-N 124.277 1.672 . . . . 0.0 111.024 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.72 106.18 46.52 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.53 90.41 1.13 Allowed 'Trans proline' 0 C--N 1.365 1.404 0 O-C-N 124.73 1.911 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 11.0 t80 -79.93 77.82 6.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 1.3 mmt85 84.56 -42.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -165.25 -35.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -81.39 149.04 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.446 0.733 . . . . 0.0 109.565 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.7 m -102.05 125.63 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.36 1.038 . . . . 0.0 110.609 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.85 159.05 15.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 1.182 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -114.38 80.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.221 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.1 mm -72.63 113.98 26.02 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.754 1.284 . . . . 0.0 109.342 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.437 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 18.6 Cg_endo -75.01 142.14 27.46 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.433 1.754 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 2.5 pp -154.92 159.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.5 t -144.74 152.56 40.56 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.475 1.109 . . . . 0.0 108.16 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.72 145.64 46.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.4 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.602 ' CE3' ' OD1' ' A' ' 54' ' ' ASN . 47.6 m95 -111.78 129.74 56.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.85 168.84 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -152.69 158.98 43.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.613 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.9 m-20 -89.26 -33.95 16.79 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.617 1.198 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -161.73 -42.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.45 ' O ' ' CG ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -75.65 160.01 80.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.087 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -47.02 0.33 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.88 -2.55 . . . . 0.0 110.93 0.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.445 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 84.7 t80 -106.54 -35.73 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.593 ' OD1' ' CE2' ' A' ' 17' ' ' TYR . 0.3 OUTLIER 164.09 -51.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.04 152.95 41.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.2 Cg_endo -75.08 -175.68 2.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.09 149.88 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 95.1 m -122.75 129.16 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -158.99 147.78 18.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 m -75.43 165.32 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.384 1.052 . . . . 0.0 109.239 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 68.08 7.74 Favored Pre-proline 0 C--N 1.321 -0.635 0 O-C-N 124.612 1.195 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 178.24 7.47 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.828 1.962 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.6 p -82.68 -169.7 2.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.932 1.395 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -44.34 16.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.02 -52.44 65.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.593 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 177.26 0.13 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.6 p -133.64 -165.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.351 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.59 114.72 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 124.401 1.063 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -91.77 93.03 8.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.542 1.152 . . . . 0.0 109.205 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 p -40.21 139.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.704 1.253 . . . . 0.0 110.411 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.95 -148.26 5.07 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.661 1.225 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -41.85 64.47 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.79 0.935 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -108.87 -50.12 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.4 m -55.4 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.65 1.219 . . . . 0.0 109.363 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.16 -173.02 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.682 1.239 . . . . 0.0 109.437 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.5 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.945 1.403 . . . . 0.0 109.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -78.13 -27.41 48.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 124.674 1.233 . . . . 0.0 109.419 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 114.58 -8.83 22.06 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.09 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -55.11 129.93 40.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.1 pt -106.86 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.313 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 32.6 p90 -117.69 54.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' TYR . 1.2 mp -39.61 151.09 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -34.82 3.57 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -54.87 -51.74 64.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' TRP . 3.2 mm? -44.72 -59.39 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -47.8 -40.21 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.55 28.28 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.452 ' NE1' ' O ' ' A' ' 119' ' ' HIS . 6.5 t90 -115.49 130.16 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -167.12 40.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.4 m-70 171.9 162.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.622 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -8.69 23.85 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.005 0.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -155.61 47.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 p -43.49 125.34 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -175.05 -178.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mt -48.29 -45.25 34.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.56 -66.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.34 -39.35 64.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.18 -62.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.91 -32.0 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -54.37 -57.04 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.3 OUTLIER -54.12 -40.71 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.604 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 15.3 mtt -66.34 -25.0 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.63 -33.99 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 134' ' ' VAL . 48.6 t -88.72 -60.07 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 130' ' ' VAL . 4.0 t -39.96 -49.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 131' ' ' MET . 13.7 m-30 -80.08 -32.58 39.25 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 124.456 1.097 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.92 -14.57 52.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.345 1.028 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.44 -46.89 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.03 148.96 2.14 Favored Pre-proline 0 C--N 1.322 -0.597 0 O-C-N 124.831 1.332 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.28 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.94 21.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.548 1.815 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.48 -18.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.829 1.331 . . . . 0.0 109.184 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.254 0.971 . . . . 0.0 111.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 110.551 -0.166 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.0 -19.48 43.95 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.817 1.323 . . . . 0.0 109.463 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' SER . 1.2 tttt -81.1 -48.46 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.559 1.162 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -23.21 67.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.764 1.29 . . . . 0.0 109.217 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -42.99 18.21 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.079 0.862 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.77 17.66 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.332 1.02 . . . . 0.0 109.53 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.27 -7.18 45.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.509 -179.777 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -37.69 11.45 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 125.087 1.492 . . . . 0.0 108.853 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -47.56 123.26 5.58 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 124.62 1.2 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -56.72 -64.11 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.116 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -85.26 43.42 1.01 Allowed 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.998 1.436 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' VAL . 28.4 ptt180 -62.55 -39.8 94.79 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.456 1.098 . . . . 0.0 110.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.35 -37.21 69.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.331 1.02 . . . . 0.0 109.421 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -76.72 -41.08 46.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 7.1 m -65.01 -45.26 86.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 6.0 t -62.84 -37.65 79.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.58 1.175 . . . . 0.0 109.486 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -74.67 -46.01 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.4 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -67.2 -38.11 84.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 124.748 1.28 . . . . 0.0 110.384 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.0 m -64.38 -37.95 89.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.41 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -42.42 90.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.563 1.164 . . . . 0.0 109.174 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' LEU . 36.2 t-20 -69.6 -53.85 16.83 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASN . 35.6 t -40.78 -61.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' TYR . 1.9 pt -61.01 -56.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.196 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -42.8 -46.5 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.137 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -66.43 -45.84 78.52 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CZ ' ' CD1' ' A' ' 132' ' ' ILE . 61.4 m-85 -128.03 114.31 16.92 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.603 1.189 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.78 61.24 6.34 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.606 1.191 . . . . 0.0 108.952 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 35' ' ' LEU . 21.4 p-10 -132.38 -51.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.682 1.239 . . . . 0.0 109.398 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 3.4 mm? -67.62 117.33 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.643 1.214 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.78 136.64 21.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -74.6 134.49 18.61 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.526 1.803 . . . . 0.0 111.336 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.75 159.35 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.32 105.86 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.599 1.187 . . . . 0.0 109.088 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' LEU . 19.5 t0 -129.67 127.83 41.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.8 p -102.02 149.29 24.39 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.725 1.265 . . . . 0.0 110.142 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -126.16 143.23 51.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.423 1.077 . . . . 0.0 110.911 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.319 -0.753 0 O-C-N 124.831 1.332 . . . . 0.0 109.06 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.83 134.73 37.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.374 1.046 . . . . 0.0 110.449 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -80.33 114.22 19.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.846 1.341 . . . . 0.0 110.122 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' ASP . 4.5 mm? -120.84 138.23 54.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.366 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 ttm -82.06 133.76 35.3 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -123.52 130.9 53.37 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 124.356 1.035 . . . . 0.0 109.271 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -105.39 109.45 21.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.429 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -116.47 140.21 49.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.7 1.25 . . . . 0.0 110.444 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.23 -170.73 32.44 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -131.01 117.9 19.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 0.823 . . . . 0.0 110.187 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -93.74 142.04 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.446 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.61 123.63 8.23 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.441 1.758 . . . . 0.0 111.203 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 135' ' ' PHE . 2.8 t -119.59 97.82 49.97 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 94.97 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.3 t80 -96.54 90.8 5.49 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER 88.05 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.415 1.072 . . . . 0.0 110.274 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.34 -28.28 0.2 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.412 1.07 . . . . 0.0 111.104 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 63' ' ' TYR . 1.7 p30 -75.59 148.49 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.824 . . . . 0.0 109.13 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.6 m -99.05 124.66 44.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.296 0.997 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.94 157.73 17.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.102 . . . . 0.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -114.82 75.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.327 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.4 mm -73.86 114.13 29.66 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.1 17.45 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.543 1.812 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.75 151.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.054 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.9 t -133.97 135.13 43.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 108.169 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -123.83 125.64 45.03 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.342 1.026 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -96.87 123.88 40.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.37 174.13 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.69 174.78 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.573 ' OD2' ' CE2' ' A' ' 80' ' ' TYR . 13.1 p-10 -92.44 -38.11 12.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 8.9 t -176.76 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' OD2' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -101.06 162.29 21.02 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -74.64 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.227 -2.406 . . . . 0.0 111.074 -0.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.423 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 72.1 m-85 -71.99 -69.99 0.36 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.551 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 0.7 OUTLIER 160.29 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 154.76 42.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 166.01 30.16 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 mp -104.4 127.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.37 141.87 41.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.38 161.43 41.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 124.597 1.186 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 m -112.32 149.18 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.369 1.043 . . . . 0.0 109.228 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -122.41 77.85 45.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.84 19.52 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.596 1.84 . . . . 0.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.6 p -116.01 -174.91 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.356 1.035 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.45 1.094 . . . . 0.0 109.871 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -51.76 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 176.71 1.26 Allowed 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.552 1.157 . . . . 0.0 111.227 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.497 ' CG2' ' C ' ' A' ' 142' ' ' PHE . 12.6 t -151.88 -155.82 0.65 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.526 1.141 . . . . 0.0 110.503 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.419 ' N ' ' OG1' ' A' ' 96' ' ' THR . 19.8 mt -138.95 130.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 108.975 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -95.3 80.72 3.56 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.7 p -39.02 135.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.203 0.94 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.72 -135.96 1.93 Allowed Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.701 1.251 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -71.03 0.54 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 124.969 1.041 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -79.97 -23.55 41.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -87.16 81.24 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.639 1.212 . . . . 0.0 109.377 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.33 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.58 -45.5 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -75.55 -12.25 60.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.559 1.162 . . . . 0.0 109.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.47 22.08 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.095 . . . . 0.0 110.918 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -76.13 104.9 6.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.6 mm -60.79 93.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.232 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.94 84.52 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.4 mt -92.49 112.79 57.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.3 19.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.05 -39.08 72.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.4 pp -91.13 -5.77 54.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -77.22 -42.06 38.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -99.98 23.92 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.527 ' O ' ' C ' ' A' ' 118' ' ' LYS . 6.4 t90 -129.49 -70.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.581 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER 30.8 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.581 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 59.8 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 122' ' ' SER . 18.3 Cg_endo -75.02 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.913 0.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.28 -42.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.486 ' CB ' ' CE2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -83.32 157.72 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -179.49 174.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.9 -46.82 2.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.437 1.086 . . . . 0.0 109.193 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.7 -53.52 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.19 -35.02 68.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 123' ' ' ASP . 35.9 mt -54.54 -72.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.3 mp -49.97 -23.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.15 -58.38 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.5 OUTLIER -50.04 -43.93 21.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 135' ' ' PHE . 48.6 mtt -62.16 -52.27 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 mt -45.39 -32.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' VAL . 96.9 t -92.05 -63.41 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 130' ' ' VAL . 6.2 t -40.05 -43.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.442 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 7.9 m-85 -88.4 -30.52 19.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.3 -23.66 66.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.98 -51.13 6.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.767 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.77 152.97 21.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.289 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . 0.419 ' CD ' ' CE1' ' A' ' 63' ' ' TYR . 17.8 Cg_endo -75.34 122.57 7.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.65 1.868 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.7 -20.0 18.06 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.49 1.784 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.1 m -91.61 124.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.901 1.376 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.497 ' C ' ' CG2' ' A' ' 96' ' ' THR . 7.6 t80 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.61 -50.41 32.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.275 0.984 . . . . 0.0 109.292 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -51.24 -47.19 62.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -58.42 -23.43 57.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -87.96 -42.01 12.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.177 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.74 -7.8 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.243 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -65.6 -15.28 62.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.715 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.21 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.471 ' CD1' ' OD2' ' A' ' 78' ' ' ASP . 1.5 m-85 -48.19 119.52 3.0 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.337 1.023 . . . . 0.0 111.044 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -47.12 23.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' CZ ' ' OG1' ' A' ' 79' ' ' THR . 10.2 m-85 -90.63 40.23 1.01 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.634 1.209 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.254 0.971 . . . . 0.0 110.085 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.95 -50.53 70.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.54 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -58.41 -52.84 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.235 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' TYR . 8.8 m -57.34 -54.49 46.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.455 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.49 -43.62 72.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.594 1.184 . . . . 0.0 109.143 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -65.61 -48.83 70.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -40.22 96.73 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.734 1.271 . . . . 0.0 110.288 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' THR . 17.0 m -62.82 -59.16 5.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -42.68 -44.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.839 1.337 . . . . 0.0 109.121 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.7 t-20 -69.93 -55.63 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.7 1.25 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 t -41.65 -57.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.284 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -63.82 -56.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 109.19 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -43.27 -45.32 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -74.53 -45.54 45.06 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 124.703 1.252 . . . . 0.0 109.152 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -124.41 91.55 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -59.83 -47.34 86.12 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.63 1.206 . . . . 0.0 108.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -36.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.333 1.021 . . . . 0.0 109.08 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.68 131.03 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.044 . . . . 0.0 109.3 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.0 129.77 24.44 Favored Pre-proline 0 N--CA 1.449 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.614 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -74.39 136.77 22.24 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 O-C-N 124.216 1.64 . . . . 0.0 111.566 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.97 154.46 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.09 0.869 . . . . 0.0 109.224 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.513 ' C ' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -130.1 115.99 17.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.138 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -137.47 133.54 34.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.737 1.273 . . . . 0.0 109.372 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -82.36 123.65 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.76 1.287 . . . . 0.0 110.085 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -100.53 144.54 29.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.539 1.149 . . . . 0.0 111.204 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.448 -0.527 0 O-C-N 124.374 1.046 . . . . 0.0 109.723 179.837 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.76 149.42 50.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.552 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.04 116.33 22.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.616 1.197 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.95 134.96 50.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.85 1.344 . . . . 0.0 109.58 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -80.28 137.3 36.6 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 124.027 0.829 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -125.22 121.07 33.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.91 116.61 29.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.7 m -121.16 148.22 44.51 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -175.66 47.77 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 p -133.24 122.88 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 0.827 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.1 mt -89.25 115.79 64.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.095 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.44 94.76 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.667 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.34 146.46 34.64 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.745 1.278 . . . . 0.0 109.072 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.61 123.94 8.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.609 1.847 . . . . 0.0 111.163 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.663 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 16.0 t80 -93.55 -49.69 5.77 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.361 1.038 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.417 ' O ' ' NE ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -163.1 72.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 -15.14 33.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -117.25 177.81 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 0.0 109.206 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -104.14 132.67 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.663 ' CE1' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -109.43 156.93 19.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -111.26 100.13 8.82 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.346 1.029 . . . . 0.0 109.252 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.9 mm -92.63 112.34 55.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 114.71 4.08 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.33 1.7 . . . . 0.0 110.741 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.36 140.58 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.416 1.073 . . . . 0.0 109.421 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 50.4 t -149.99 138.85 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.227 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.4 ' CD2' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -140.36 159.59 41.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 124.331 1.019 . . . . 0.0 109.386 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 50.9 m95 -115.79 144.45 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.3 mp -110.7 -177.92 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -142.3 -172.81 3.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 79' ' ' THR . 1.2 m-20 -109.94 -23.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.52 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER 167.17 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.102 . . . . 0.0 110.419 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.77 164.62 20.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.583 1.177 . . . . 0.0 110.92 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -58.38 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.947 -0.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -71.29 98.15 1.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.84 1.337 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.62 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 8.3 t-20 -50.38 -45.72 83.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.149 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.91 142.66 28.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.472 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -75.09 163.99 34.07 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 104.25 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.34 133.8 33.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 108.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -159.43 147.64 17.6 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.618 1.199 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.2 m -91.27 123.13 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.31 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -66.29 117.87 47.68 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.31 1.006 . . . . 0.0 109.184 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.17 168.24 25.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.21 1.637 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -151.61 177.99 9.78 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 124.95 1.406 . . . . 0.0 110.43 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -80.88 -42.28 21.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.968 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -58.87 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.96 166.34 23.45 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.392 1.058 . . . . 0.0 110.69 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER -113.1 -15.81 12.73 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.491 1.119 . . . . 0.0 110.496 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 0.1 OUTLIER 58.27 111.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.091 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.24 156.26 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 p -89.39 158.17 17.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.333 1.02 . . . . 0.0 110.558 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.407 ' N ' ' CG2' ' A' ' 103' ' ' VAL . . . -156.97 -151.68 6.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.681 1.238 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -32.8 63.52 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.339 0.67 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -118.35 -44.96 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.554 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 6.4 m -60.03 101.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 109.083 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.8 -172.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.514 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.64 63.54 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.814 1.321 . . . . 0.0 109.463 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -95.89 -23.71 16.76 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.627 1.204 . . . . 0.0 109.195 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.4 -12.83 18.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.641 1.213 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -52.92 113.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.68 0.871 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.49 107.16 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.143 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -103.62 42.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mt -44.18 157.21 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.87 20.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.33 -52.53 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.03 -39.04 93.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -58.58 -51.58 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.99 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.472 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 5.5 t90 -80.81 99.57 8.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.599 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -130.22 5.74 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.599 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.11 164.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.4 Cg_endo -75.07 -30.81 5.74 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.03 -0.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.492 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -29.98 -61.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.472 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 4.8 m -80.84 162.26 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 177.77 169.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -39.56 91.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' GLN . 6.8 mp -59.63 -57.97 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.78 -34.45 70.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.18 -41.48 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -37.56 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 125' ' ' LEU . 1.4 tt0 -58.91 -54.99 40.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.207 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 1.0 OUTLIER -44.99 -47.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 24.7 mtt -57.0 -51.0 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.5 tt -45.47 -32.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.0 t -92.26 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' VAL . 3.1 t -42.49 -42.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 131' ' ' MET . 8.2 m-85 -90.07 -29.16 18.54 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.442 1.089 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.27 72.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.393 1.058 . . . . 0.0 111.007 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -26.59 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.73 119.48 0.2 Allowed Pre-proline 0 N--CA 1.45 -0.458 0 O-C-N 124.295 0.997 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.73 146.32 33.71 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.707 1.898 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -30.11 7.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.9 m -74.72 125.33 34.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 125.123 1.514 . . . . 0.0 109.22 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 11' ' ' MET . 3.4 tt0 . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -38.14 17.67 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.654 1.221 . . . . 0.0 109.098 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -65.14 -58.5 5.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.8 -20.53 61.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 124.396 1.06 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -76.92 -43.08 36.85 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.742 1.276 . . . . 0.0 111.087 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -106.83 19.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 124.718 1.261 . . . . 0.0 109.349 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.5 m -75.2 -19.57 59.74 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.637 1.211 . . . . 0.0 109.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -82.23 -39.95 22.32 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 124.949 1.406 . . . . 0.0 109.459 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' OH ' ' N ' ' A' ' 53' ' ' MET . 5.2 m-85 -40.71 132.39 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -50.21 51.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.05 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' THR . 19.7 m-85 -94.49 38.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.5 ttt180 -51.27 -63.3 1.17 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.379 1.05 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.01 -33.79 8.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -49.26 27.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.395 1.06 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.6 m -63.69 -54.98 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' ARG . 51.4 t -51.79 -45.38 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -55.71 -53.46 56.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' VAL . 1.2 mp0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.869 1.356 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' THR . 18.5 m -67.86 -52.13 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -57.59 -36.26 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' LEU . 57.1 t-20 -76.18 -51.99 11.0 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.686 1.241 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.3 t -48.24 -43.58 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 32' ' ' TYR . 3.5 pt -76.67 -53.29 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.221 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.6 m -49.5 -40.8 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.47 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' ASN . 5.5 tt -64.2 -40.31 95.81 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.78 1.3 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.425 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -98.25 -172.11 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -146.75 55.34 1.12 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.646 1.216 . . . . 0.0 109.462 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -172.81 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.249 0.968 . . . . 0.0 109.47 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 32' ' ' TYR . 3.6 mm? -62.44 117.64 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.49 145.09 39.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.83 138.67 23.78 Favored 'Trans proline' 0 C--N 1.363 1.31 0 O-C-N 124.34 1.705 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.4 t -137.82 164.4 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -129.82 128.89 43.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 0.0 109.219 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.29 121.52 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.697 1.248 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.26 148.41 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 110.277 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -118.37 125.64 50.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.449 -0.486 0 O-C-N 124.292 0.995 . . . . 0.0 109.257 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.36 133.28 38.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.844 1.34 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -86.45 120.02 27.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 110.744 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -129.48 125.17 35.77 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.189 0.931 . . . . 0.0 109.427 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.444 ' N ' ' OH ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -66.32 148.07 52.39 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 125.063 1.477 . . . . 0.0 111.036 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -141.47 137.21 31.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.62 113.27 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.453 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -119.66 130.16 54.92 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.942 1.402 . . . . 0.0 110.187 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . 178.31 175.44 45.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.4 p -120.38 159.26 25.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.61 145.91 57.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.216 . . . . 0.0 109.027 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.57 119.49 5.76 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.363 1.717 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.74 113.53 33.16 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 124.486 1.116 . . . . 0.0 109.453 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.04 108.95 2.84 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.645 1.866 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 t80 -104.65 78.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 85.62 -15.75 0.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.67 -25.32 0.74 Allowed Glycine 0 CA--C 1.527 0.783 0 O-C-N 124.493 1.121 . . . . 0.0 111.172 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.02 153.38 27.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.34 0.671 . . . . 0.0 109.356 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.8 m -103.26 125.07 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.72 158.25 18.29 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.674 1.234 . . . . 0.0 110.97 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -112.6 76.14 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.394 1.059 . . . . 0.0 109.354 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.4 mm -66.42 112.99 10.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.71 24.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -143.56 141.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.349 1.031 . . . . 0.0 109.429 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.4 t -126.75 145.66 50.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 108.4 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.0 156.71 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.639 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 69.6 m95 -122.24 134.09 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.96 167.67 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -147.24 169.86 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.159 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.53 -36.94 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -166.66 -42.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.18 166.02 18.43 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.55 1.156 . . . . 0.0 111.167 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -43.64 0.66 Allowed 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.799 -0.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 30.0 m-85 -92.27 -63.28 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.59 1.181 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER 164.39 -51.49 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.285 0.99 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 151.43 39.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.461 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.99 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.34 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.33 129.73 56.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 4.3 p90 -151.55 141.71 22.26 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.68 176.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.371 1.044 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -139.76 135.73 16.91 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.61 1.194 . . . . 0.0 109.194 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.23 164.31 33.18 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.597 1.84 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -116.86 -151.93 0.49 Allowed 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.94 -56.09 2.3 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.854 1.346 . . . . 0.0 110.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -42.98 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.688 1.242 . . . . 0.0 109.953 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.57 171.29 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 142' ' ' PHE . 13.2 t -119.89 -160.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.569 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 2.2 tt -135.4 61.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.272 0.983 . . . . 0.0 109.29 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -39.72 135.5 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.168 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 p -102.49 147.6 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.799 1.312 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.27 -118.12 0.75 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.711 1.257 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -70.17 0.74 Allowed 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 124.413 0.714 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.617 ' CE1' ' CG2' ' A' ' 103' ' ' VAL . 11.1 p-80 -73.27 -30.63 63.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.617 ' CG2' ' CE1' ' A' ' 102' ' ' HIS . 59.8 t -84.92 78.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.407 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.876 1.36 . . . . 0.0 109.415 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.4 69.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 109.124 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -89.17 14.84 9.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 124.509 1.13 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 60.46 20.77 56.22 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 124.652 1.22 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -73.6 133.76 43.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.779 0.929 . . . . 0.0 109.309 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.75 95.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.78 31.95 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.83 156.29 0.36 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -46.03 -55.23 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.03 -54.64 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -51.36 -52.63 43.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.631 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.53 26.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.511 ' CZ2' ' N ' ' A' ' 122' ' ' SER . 11.9 t90 -131.74 130.23 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.615 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -153.4 74.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.615 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 61.1 170.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.596 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.8 Cg_endo -74.92 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.075 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.538 ' C ' ' O ' ' A' ' 120' ' ' PRO . 3.5 mt-30 -26.67 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.511 ' N ' ' CZ2' ' A' ' 117' ' ' TRP . 51.6 p -42.96 130.83 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.2 m-20 -178.92 170.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -56.8 -63.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -49.62 -52.45 30.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.76 -28.58 68.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 123' ' ' ASP . 4.8 mt -71.11 -37.52 72.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 15.5 mm -75.61 -18.25 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -54.24 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.8 OUTLIER -55.06 -48.23 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.468 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 8.5 mtt -60.3 -40.92 92.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.2 mt -58.32 -31.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.49 -60.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 130' ' ' VAL . 3.4 t -42.74 -47.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -83.96 -28.56 27.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.34 76.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.338 1.023 . . . . 0.0 110.985 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -43.82 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -177.96 138.53 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.565 0 O-C-N 124.351 1.032 . . . . 0.0 110.364 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -74.55 151.6 42.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.22 -32.04 5.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.381 1.727 . . . . 0.0 111.06 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 24.9 m -74.48 123.24 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 O-C-N 124.537 1.148 . . . . 0.0 109.235 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.573 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.413 0 O-C-N 124.288 0.993 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' VAL . 20.3 tp -49.3 -51.39 34.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.74 1.275 . . . . 0.0 109.045 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' SER . 6.5 ttpt -54.3 -45.92 72.65 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.521 1.138 . . . . 0.0 109.155 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -21.8 64.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.955 1.41 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -37.05 13.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.655 1.222 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 17.4 m -99.57 19.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.458 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.831 1.332 . . . . 0.0 109.793 -179.845 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -100.61 -19.45 16.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.867 1.354 . . . . 0.0 109.043 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -61.11 133.6 56.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 111.225 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.67 -37.38 73.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 25.4 m-85 -104.22 25.7 9.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' VAL . 8.4 tmm_? -42.08 -66.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.777 1.298 . . . . 0.0 110.475 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.6 -31.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -78.12 -50.5 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' TYR . 4.8 m -60.42 -48.03 83.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.6 t -56.69 -44.67 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.99 -52.34 63.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -62.14 -37.31 84.69 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.363 1.039 . . . . 0.0 110.377 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 m -70.01 -37.34 75.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -68.58 -40.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.347 1.029 . . . . 0.0 109.181 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.0 t-20 -72.75 -48.78 35.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.375 1.047 . . . . 0.0 109.255 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 24.3 t -47.21 -55.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.77 1.294 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TYR . 2.5 pt -65.43 -52.57 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -47.33 -42.82 22.12 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.755 1.285 . . . . 0.0 110.438 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -70.69 -40.41 72.92 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.564 1.165 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.426 ' OH ' ' CD1' ' A' ' 132' ' ' ILE . 11.4 m-85 -129.07 109.13 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 111.25 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -83.0 58.27 4.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.81 -48.01 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.236 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.5 125.9 27.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 124.633 1.208 . . . . 0.0 109.262 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 144.46 29.93 Favored Pre-proline 0 N--CA 1.447 -0.594 0 O-C-N 124.529 1.143 . . . . 0.0 109.763 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.69 141.85 28.15 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 O-C-N 124.302 1.685 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.7 168.12 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.728 1.267 . . . . 0.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.63 120.94 13.95 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.316 1.01 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.72 115.47 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.943 1.402 . . . . 0.0 109.674 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.6 p -85.56 129.38 34.83 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 124.722 1.264 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -108.6 123.94 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.45 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.412 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.12 0.486 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -99.78 144.39 28.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.072 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.79 118.35 32.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.306 1.004 . . . . 0.0 110.301 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.62 135.43 53.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.421 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -99.79 138.76 36.43 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 124.799 1.312 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -123.89 146.1 48.66 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mt -107.04 115.41 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.456 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.3 m -118.14 139.3 51.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.99 172.22 45.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 p -123.93 133.85 53.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.165 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.8 pt -106.89 141.37 22.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -74.78 98.56 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.374 1.723 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.67 126.44 28.11 Favored Pre-proline 0 C--N 1.32 -0.714 0 O-C-N 124.313 1.008 . . . . 0.0 109.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.74 147.75 35.58 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.437 1.757 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -105.14 -55.33 2.34 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 124.769 1.293 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 32.65 0.18 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.415 1.072 . . . . 0.0 110.293 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 132.26 -22.61 4.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.59 158.08 17.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.388 0.699 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -99.21 132.12 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.359 1.037 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.34 169.53 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -116.65 93.33 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.645 1.215 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.4 mm -82.41 114.44 51.45 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.384 1.052 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 128.5 11.59 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.29 146.88 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.1 t -125.01 143.78 50.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.564 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mt -130.9 136.95 49.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.352 1.032 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 51.0 m95 -111.31 139.44 46.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.08 166.87 13.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.34 176.51 8.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.473 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.99 -32.21 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.815 1.322 . . . . 0.0 109.429 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 174.1 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -119.36 159.95 43.52 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 124.433 1.083 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -75.19 -52.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.885 0.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -80.11 115.64 19.79 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.496 1.122 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.5 m120 -52.83 -45.09 97.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -74.97 155.97 43.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.452 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -74.99 158.38 42.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.422 1.748 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mt -96.21 125.01 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 94.3 m -66.28 148.72 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.94 159.37 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.528 1.142 . . . . 0.0 111.057 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 107' ' ' GLY . 34.1 m -123.63 154.86 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 O-C-N 124.561 1.163 . . . . 0.0 109.386 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.72 64.08 61.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.34 1.025 . . . . 0.0 109.383 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -176.2 2.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.596 1.84 . . . . 0.0 110.975 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.1 p -105.9 -175.2 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.801 1.313 . . . . 0.0 110.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -22.25 22.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.41 -7.48 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 142' ' ' PHE . 58.6 ttm -92.52 -32.95 14.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 124.778 1.299 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 m 66.86 172.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.237 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -138.21 105.04 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.709 1.256 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -72.72 86.49 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.149 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 p -44.11 138.95 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.91 -150.21 5.41 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 125.013 1.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -70.33 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 104' ' ' ASP . 9.9 p80 -76.75 -51.28 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.7 t -55.08 90.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.345 1.028 . . . . 0.0 109.207 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' HIS . 2.7 t0 -65.37 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.468 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.32 -15.88 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.217 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -110.67 5.55 21.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.359 1.037 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . 0.404 ' O ' ' CG2' ' A' ' 89' ' ' VAL . . . 71.42 41.1 59.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.632 1.208 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 109' ' ' ILE . 1.4 tttp -104.77 57.95 0.7 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.425 0.721 . . . . 0.0 109.158 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -39.61 106.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 O-C-N 124.297 0.998 . . . . 0.0 109.074 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 41.9 p90 -113.55 59.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 mp -47.65 153.41 1.07 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.64 21.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -46.91 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.19 -31.96 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.69 -37.89 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.3 29.08 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.703 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 7.3 t90 -80.77 117.52 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -125.43 70.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.224 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.467 ' C ' ' O ' ' A' ' 118' ' ' LYS . 25.1 p-80 -35.07 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.6 Cg_endo -74.91 2.77 14.38 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.042 -0.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.0 mp0 -30.06 -69.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.703 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -93.11 -177.14 4.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -172.63 164.17 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.34 -50.7 68.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.18 -54.54 42.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.36 -37.69 88.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -69.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 0.811 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.15 -22.64 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -61.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -44.93 -49.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.503 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 61.8 mtt -51.04 -57.45 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.426 ' CD1' ' OH ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -45.79 -28.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.8 t -90.23 -62.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 130' ' ' VAL . 37.6 t -45.61 -40.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 131' ' ' MET . 6.2 m-85 -84.58 -33.31 23.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.519 1.137 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.62 -21.05 66.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.72 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.86 157.16 5.11 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.702 1.252 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.83 113.98 3.92 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.508 1.794 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.73 35.69 0.41 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.553 1.817 . . . . 0.0 111.258 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 142' ' ' PHE . 0.0 OUTLIER -132.85 -56.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.561 0 O-C-N 124.223 0.952 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.2 tp60 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.15 -56.55 3.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.207 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.39 75.0 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.574 1.171 . . . . 0.0 109.177 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 7' ' ' GLN . 1.0 OUTLIER -65.2 -44.73 87.41 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -64.47 -44.31 91.44 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 124.258 0.974 . . . . 0.0 111.167 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 m -83.32 1.02 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.626 1.204 . . . . 0.0 109.73 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -62.74 -21.58 65.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -101.08 -28.11 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 124.324 1.015 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -53.34 117.41 3.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -68.38 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.517 1.135 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -81.79 49.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.78 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.89 -60.26 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.133 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' ARG . 31.4 t70 -38.85 -39.02 0.48 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -76.28 -50.22 14.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' A' ' 17' ' ' TYR . 41.5 m -55.46 -55.03 36.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' ARG . 7.0 t -53.0 -42.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 124.641 1.213 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -67.51 -47.92 68.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.382 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' LEU . 11.7 mt-10 -60.48 -46.09 91.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' THR . 30.6 m -61.43 -32.2 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -71.15 -41.98 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 124.648 1.217 . . . . 0.0 109.408 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' LEU . 16.1 t-20 -68.17 -51.94 40.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 t -44.54 -59.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 124.624 1.202 . . . . 0.0 109.354 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -62.86 -56.91 14.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 14.0 m -43.11 -45.64 5.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.494 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -68.09 -46.09 71.95 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.756 1.285 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.96 115.73 16.9 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.1 54.62 3.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.908 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.14 -45.81 1.12 Allowed 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.564 1.165 . . . . 0.0 109.193 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.15 110.08 1.73 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.62 116.92 66.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.143 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 134.11 17.66 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.6 t -132.36 169.12 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.5 106.49 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.95 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -121.75 135.79 54.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.832 1.332 . . . . 0.0 109.308 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -96.67 137.84 35.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.77 1.294 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.15 147.54 50.82 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.245 0.965 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.704 1.253 . . . . 0.0 109.074 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -152.22 159.92 43.47 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.658 1.224 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -113.25 122.87 48.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.297 0.998 . . . . 0.0 110.254 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 51' ' ' GLU . 2.6 mm? -131.29 148.64 52.7 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.837 1.335 . . . . 0.0 109.337 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 ttp -92.94 137.16 32.61 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.722 1.264 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 2.2 p-10 -122.87 118.48 28.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.8 mt -88.88 103.19 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 m -109.74 111.18 22.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.505 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.62 -175.33 21.8 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 p -137.4 121.94 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.665 0.862 . . . . 0.0 110.277 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.6 mt -88.82 142.37 30.52 Favored Pre-proline 0 N--CA 1.449 -0.479 0 O-C-N 124.637 1.211 . . . . 0.0 109.519 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.44 118.44 5.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.508 1.794 . . . . 0.0 111.293 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 68' ' ' TYR . 25.5 t -144.86 101.92 4.54 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 147.7 34.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -95.39 -38.91 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.592 1.183 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.18 -76.65 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.0 4.8 9.04 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.645 1.215 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.16 146.41 50.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 0.724 . . . . 0.0 109.422 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.0 m -89.13 129.89 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.693 1.246 . . . . 0.0 110.282 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.458 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.3 t80 -100.49 162.75 12.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.667 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -115.04 86.33 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.1 mm -73.11 114.05 27.52 Favored Pre-proline 0 C--N 1.321 -0.634 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 136.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.42 1.747 . . . . 0.0 110.861 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.07 148.07 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.112 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' CYS . . . . . 0.418 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 42.2 t -128.14 148.61 50.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 108.453 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.79 127.15 30.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.166 0.916 . . . . 0.0 109.392 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TRP . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 67.0 m95 -100.19 144.66 28.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 mp -119.77 163.32 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.9 176.95 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.083 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -94.84 -28.23 15.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.449 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -97.57 168.14 10.63 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -35.34 2.95 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.107 -0.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' TYR . . . . . 0.422 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 38.7 m-85 -97.22 -65.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASN . . . . . 0.532 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.4 m-20 162.19 -50.89 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.588 1.18 . . . . 0.0 109.1 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.07 151.35 39.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.98 170.78 19.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -104.17 156.66 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.9 m -128.76 134.77 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 108.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 2.5 p90 -164.28 147.27 9.22 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 124.637 1.211 . . . . 0.0 111.047 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.55 159.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.29 0.994 . . . . 0.0 109.238 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.95 97.5 50.76 Favored Pre-proline 0 N--CA 1.447 -0.603 0 O-C-N 124.308 1.005 . . . . 0.0 109.249 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.57 149.27 38.6 Favored 'Trans proline' 0 C--N 1.357 0.978 0 O-C-N 124.798 1.946 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.3 p -115.96 -142.25 0.38 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.318 1.011 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 m -100.32 -45.23 5.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -38.15 58.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.605 1.19 . . . . 0.0 109.741 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -176.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 124.619 1.2 . . . . 0.0 110.706 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 10.9 t -147.42 -154.4 0.55 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 124.603 1.189 . . . . 0.0 110.161 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ILE . . . . . 0.44 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -165.53 117.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.716 1.26 . . . . 0.0 109.208 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 89.4 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.4 p -44.42 135.62 4.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.433 1.083 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.91 -137.81 2.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.639 1.212 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -71.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.552 0.795 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -74.46 -20.12 60.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.32 70.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 124.658 1.224 . . . . 0.0 109.451 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -53.1 -177.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.652 1.22 . . . . 0.0 109.324 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.92 62.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.723 1.264 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -104.59 17.19 24.6 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 56.46 19.57 26.81 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.65 125.7 29.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.1 mm -60.98 102.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 124.636 1.21 . . . . 0.0 109.342 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 34.19 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.6 mt -46.36 151.53 0.97 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -42.76 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -61.09 -43.12 99.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -45.03 62.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -58.09 -54.88 42.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.564 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.99 33.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' TRP . . . . . 0.504 ' CB ' ' O ' ' A' ' 113' ' ' TYR . 6.0 t90 -131.1 119.44 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.046 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 164.3 25.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' HIS . . . . . 0.479 ' CG ' ' CA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -61.46 171.13 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.544 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' PRO . . . . . 0.479 ' CA ' ' CG ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.06 -16.56 21.15 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.4 mp0 -37.55 -52.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.424 ' N ' ' NE1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER -59.74 139.19 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 127' ' ' LEU . 51.1 m-20 -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 mp -55.87 -62.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 mp -50.29 -55.59 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.14 -42.73 82.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 129' ' ' GLN . 1.7 mt -62.23 -66.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' LEU . 44.6 mm -39.73 -29.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 127' ' ' LEU . 8.5 tt0 -61.49 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -43.52 -50.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' MET . . . . . 0.516 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 18.9 mtt -58.66 -53.07 62.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.7 mt -45.25 -31.2 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -92.36 -63.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 130' ' ' VAL . 2.6 t -41.86 -44.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' MET . 9.6 m-85 -86.81 -31.53 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.5 -29.11 68.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.388 1.055 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.56 -35.05 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.82 157.55 1.17 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.38 119.47 5.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.415 1.745 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' PRO . . . . . 0.428 ' CG ' ' CE2' ' A' ' 135' ' ' PHE . 18.9 Cg_endo -74.61 0.8 8.24 Favored 'Trans proline' 0 C--N 1.364 1.349 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 142' ' ' PHE . 93.7 t -87.94 -101.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 141' ' ' VAL . 2.4 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.276 0.985 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.462 ' O ' ' O ' ' A' ' 4' ' ' SER . 3.2 p -164.52 34.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.416 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER 48.69 177.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 O-C-N 125.196 1.56 . . . . 0.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -92.46 -23.17 19.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 124.406 1.066 . . . . 0.0 110.49 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.52 -36.63 32.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.438 1.086 . . . . 0.0 109.549 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.85 -34.15 24.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.839 1.337 . . . . 0.0 110.291 -179.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.09 -48.38 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.767 1.292 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 13' ' ' SER . 63.1 mttt -65.58 -42.34 91.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -55.57 -26.33 42.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -32.86 27.28 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 124.55 1.156 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.5 m -105.28 20.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.261 0.976 . . . . 0.0 108.895 -179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 t -74.34 -19.32 60.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.914 1.384 . . . . 0.0 110.31 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -34.48 33.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.298 0.999 . . . . 0.0 109.171 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.83 145.98 23.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -46.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.085 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.431 ' O ' ' N ' ' A' ' 21' ' ' THR . 22.9 m-30 -90.94 27.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -44.05 -59.49 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.434 1.084 . . . . 0.0 110.093 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -47.04 -36.65 8.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.71 -38.27 54.65 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.823 1.327 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' TYR . 8.1 m -64.82 -53.04 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.2 t -53.12 -45.46 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -55.49 -53.86 51.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.547 1.154 . . . . 0.0 110.442 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.75 -45.41 82.04 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.695 1.247 . . . . 0.0 110.264 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -41.96 -43.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.821 1.326 . . . . 0.0 109.294 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.3 t-20 -70.15 -54.71 11.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.197 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.76 -56.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.303 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -63.5 -56.47 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 0.0 109.147 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.7 m -44.44 -45.13 8.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.047 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.6 OUTLIER -69.59 -51.07 38.59 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.231 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -125.95 112.96 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -82.4 54.77 2.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.5 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.53 -52.05 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -65.15 115.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.71 142.42 24.57 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.34 1.025 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.47 137.16 22.6 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 O-C-N 124.212 1.638 . . . . 0.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.8 t -134.94 164.71 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.793 1.308 . . . . 0.0 109.525 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.15 121.75 17.38 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.326 1.016 . . . . 0.0 109.19 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -137.92 131.05 30.33 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.932 1.395 . . . . 0.0 109.195 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -101.74 157.98 16.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.4 1.062 . . . . 0.0 109.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -154.0 145.75 23.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.625 1.203 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 m -61.2 -173.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.696 1.248 . . . . 0.0 109.47 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.8 m-85 -154.39 134.65 13.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.93 -77.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.705 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' PHE . 23.8 t70 -174.72 42.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.141 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.42 -60.33 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.46 1.1 . . . . 0.0 110.94 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' PHE . 52.8 m -45.91 169.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.63 0.841 . . . . 0.0 110.114 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 t -167.42 141.51 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.04 0.838 . . . . 0.0 109.797 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -136.59 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 124.641 1.213 . . . . 0.0 110.177 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -112.61 123.12 49.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 110.069 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -128.31 135.86 50.19 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.382 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 ptm -96.46 142.59 28.38 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -124.39 153.19 42.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.405 1.066 . . . . 0.0 109.257 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.29 107.99 17.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 m -112.22 129.76 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -166.0 -172.69 33.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.9 p -136.66 138.0 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 0.718 . . . . 0.0 110.683 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 9.0 mm -116.01 138.32 24.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.372 1.045 . . . . 0.0 109.387 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.34 116.17 4.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.538 1.809 . . . . 0.0 110.759 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.28 95.79 46.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.534 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.76 147.28 34.83 Favored 'Trans proline' 0 C--N 1.356 0.941 0 O-C-N 124.32 1.695 . . . . 0.0 111.037 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CZ ' ' CD ' ' A' ' 64' ' ' ARG . 65.7 t80 -153.22 127.1 8.91 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.447 1.092 . . . . 0.0 111.206 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.556 ' CD ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 60.93 19.95 10.28 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.444 1.09 . . . . 0.0 110.21 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 11.12 60.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.399 1.062 . . . . 0.0 110.994 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.424 ' N ' ' ND2' ' A' ' 66' ' ' ASN . 1.2 m-80 -101.78 -177.39 3.41 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.552 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -133.42 124.57 27.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -118.39 157.01 27.97 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.25 0.969 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -120.54 93.74 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 17.5 mt -100.58 110.74 61.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 162.65 36.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 124.624 1.855 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -152.72 138.86 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 O-C-N 124.319 1.012 . . . . 0.0 109.437 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.407 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 29.0 t -118.38 144.53 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 108.44 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.55 156.8 41.65 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.838 1.336 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.529 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 52.2 m95 -125.23 141.9 51.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 108.009 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.401 ' CD2' ' N ' ' A' ' 76' ' ' LEU . 1.7 mm? -120.0 168.65 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.583 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -144.45 168.16 20.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 124.813 1.321 . . . . 0.0 109.273 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.53 -36.69 38.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.455 1.097 . . . . 0.0 109.418 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.4 t -174.4 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.455 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -122.77 165.35 22.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.007 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -74.96 -48.58 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.132 -0.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.42 108.75 18.63 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.603 1.189 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.526 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.2 t30 -42.06 -51.0 10.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.173 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 148.83 35.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.564 1.823 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.499 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.99 166.61 28.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.13 141.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 p -113.92 137.67 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 2.5 p90 -162.86 144.21 9.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 124.437 1.086 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -83.46 140.97 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.356 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 118.38 58.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.666 1.229 . . . . 0.0 109.201 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.75 154.33 43.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.35 1.711 . . . . 0.0 111.04 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.6 p -101.28 -164.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.225 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.16 -38.44 7.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -50.82 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -176.25 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.265 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.402 ' O ' ' O ' ' A' ' 141' ' ' VAL . 0.2 OUTLIER -136.73 175.14 9.89 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.656 1.223 . . . . 0.0 110.297 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 4.2 tt -125.4 103.95 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.414 ' O ' ' O ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -94.89 37.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.458 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.414 ' O ' ' O ' ' A' ' 98' ' ' LYS . 1.8 p 43.24 -167.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.77 179.59 42.08 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 124.834 1.334 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -41.66 13.32 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.703 0.884 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.487 ' NE2' ' CG1' ' A' ' 134' ' ' VAL . 3.3 p80 -115.51 -35.72 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.655 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.2 t -58.13 97.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 124.686 1.241 . . . . 0.0 109.308 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.57 -174.93 1.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.45 -21.05 65.57 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.923 1.389 . . . . 0.0 109.054 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -94.51 9.51 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 68.65 9.9 59.73 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -77.15 147.5 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.68 0.871 . . . . 0.0 109.162 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.541 ' CD1' ' CE ' ' A' ' 131' ' ' MET . 1.3 mp -87.03 100.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.295 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.64 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 19.2 mt -64.84 148.53 97.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -24.26 13.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -78.46 -22.9 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.19 -58.2 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -50.72 -40.16 53.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.13 37.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.6 t90 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -123.78 75.63 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -40.89 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.45 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.3 Cg_endo -75.03 1.78 15.58 Favored 'Cis proline' 0 C--N 1.359 1.091 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.977 -0.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 120' ' ' PRO . 61.1 mm-40 -34.89 -63.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.64 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.09 170.9 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.28 174.86 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.33 -44.82 67.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 mp -48.42 -52.31 22.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.73 -46.57 74.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.24 -34.6 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 mp -84.9 -33.55 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -61.18 -57.49 12.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 131' ' ' MET . 2.6 p -43.88 -50.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.541 ' CE ' ' CD1' ' A' ' 109' ' ' ILE . 18.6 mtt -54.23 -54.0 45.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.39 -29.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -86.95 -61.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.487 ' CG1' ' NE2' ' A' ' 102' ' ' HIS . 25.8 t -47.41 -49.84 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 131' ' ' MET . 4.6 m-85 -71.58 -34.41 69.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -69.79 -5.76 53.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.96 -40.53 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.387 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -145.26 118.84 5.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 110.322 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.28 113.74 3.84 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.772 1.933 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -75.15 -9.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 96' ' ' THR . 13.2 t -77.19 -67.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 143' ' ' SER . 0.3 OUTLIER 56.35 162.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.578 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 1.4 p -178.35 41.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.431 1.082 . . . . 0.0 109.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.43 86.21 17.63 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.349 1.031 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.356 0.952 0 O-C-N 124.604 1.844 . . . . 0.0 110.995 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 24.3 m 41.65 47.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.674 1.234 . . . . 0.0 109.576 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.1 p -144.51 165.45 27.93 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.384 1.053 . . . . 0.0 110.187 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -29.61 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.211 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -48.88 73.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.493 1.12 . . . . 0.0 110.123 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -69.12 -56.64 7.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.663 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -43.24 -40.11 3.28 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 125.091 1.494 . . . . 0.0 109.135 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' SER . 12.0 tttm -62.5 -48.6 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.428 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLN . 32.0 tttt -62.96 -22.65 66.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.29 0.994 . . . . 0.0 109.572 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mmt -81.72 -32.29 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.981 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 m -108.61 14.88 8.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.202 0.939 . . . . 0.0 109.481 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.7 m -76.55 -26.63 55.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.72 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -26.07 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.105 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -55.26 122.25 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -56.01 25.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.079 . . . . 0.0 108.886 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 28.5 m-85 -91.6 38.62 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.772 1.295 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -60.95 -31.05 70.62 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.606 1.191 . . . . 0.0 110.331 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -67.0 -42.93 84.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.702 1.251 . . . . 0.0 109.118 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.27 -33.56 69.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -75.25 -53.53 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.444 ' N ' ' O ' ' A' ' 18' ' ' ARG . 4.3 t -55.49 -44.08 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 O-C-N 124.548 1.155 . . . . 0.0 109.085 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -49.05 73.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.07 -37.54 85.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.261 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' VAL . 4.0 m -68.21 -59.45 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.466 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.47 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -40.18 -40.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.415 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' LEU . 38.9 t-20 -74.81 -56.19 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -44.07 -48.91 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.301 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 pt -70.89 -53.93 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -47.82 -42.58 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.039 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -75.64 -46.95 28.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.629 1.206 . . . . 0.0 109.24 -179.827 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -114.39 116.21 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.49 -30.59 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.861 1.351 . . . . 0.0 108.77 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -34.36 69.12 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.89 128.96 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 109.423 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.83 118.5 25.79 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 136.17 20.17 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.607 1.846 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.3 t -134.4 165.73 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -125.65 109.88 13.14 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.0 131.24 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.697 1.248 . . . . 0.0 109.0 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -85.18 117.1 23.92 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 124.635 1.209 . . . . 0.0 110.082 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.45 123.93 28.48 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.394 1.059 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m -90.21 141.42 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.362 1.039 . . . . 0.0 109.315 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -90.66 68.67 6.57 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.586 1.179 . . . . 0.0 111.151 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 2.5 m120 57.41 34.23 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.316 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 75.82 26.44 1.05 Allowed 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.446 1.091 . . . . 0.0 109.191 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.83 -15.69 19.54 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 124.744 1.277 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 30.3 t -176.04 179.14 1.34 Allowed 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 124.29 0.641 . . . . 0.0 110.238 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 p -150.37 104.92 3.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.227 0.955 . . . . 0.0 109.797 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.11 128.11 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.169 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -72.61 110.62 7.11 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.291 0.995 . . . . 0.0 110.289 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -126.91 146.67 50.21 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.534 1.146 . . . . 0.0 109.535 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.23 139.24 32.49 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.949 1.406 . . . . 0.0 111.0 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -124.6 139.65 53.67 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 mt -106.76 112.26 25.15 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -120.28 128.26 53.14 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 125.029 1.455 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.89 165.29 38.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 20.7 p -119.34 141.96 48.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 0.719 . . . . 0.0 110.221 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 2.2 pt -115.43 148.35 40.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 O-C-N 124.93 1.394 . . . . 0.0 108.825 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.21 127.41 10.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 t -131.77 98.39 17.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 124.262 0.976 . . . . 0.0 109.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.24 128.42 11.29 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -100.28 -61.71 1.33 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.349 1.03 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.95 60.76 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.332 1.02 . . . . 0.0 110.286 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.79 -19.05 53.88 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.742 1.276 . . . . 0.0 111.023 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -104.78 156.26 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.1 m -115.43 130.23 56.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.781 1.301 . . . . 0.0 110.358 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.76 155.8 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -115.78 86.72 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.545 1.153 . . . . 0.0 109.219 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.11 114.08 29.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.84 128.82 11.93 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.507 1.793 . . . . 0.0 110.848 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.15 138.93 48.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 124.914 1.384 . . . . 0.0 109.064 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 4.4 t -122.74 140.93 52.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.366 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.14 153.86 51.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.801 1.313 . . . . 0.0 109.529 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 87.9 m95 -125.73 126.43 44.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -90.22 170.56 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -150.6 166.67 29.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 124.58 1.175 . . . . 0.0 109.57 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.3 m-20 -94.99 -35.36 12.0 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.602 1.189 . . . . 0.0 109.112 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -166.63 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.475 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -83.62 162.27 53.67 Favored Pre-proline 0 N--CA 1.452 -0.37 0 O-C-N 124.585 1.178 . . . . 0.0 111.371 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . 0.424 ' N ' ' CD1' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 -41.68 0.96 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.11 -2.454 . . . . 0.0 110.893 -0.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -103.22 -51.73 3.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 124.417 1.073 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.571 ' OD1' ' CE2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER 164.91 -51.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 144.48 30.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.828 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.5 Cg_endo -74.99 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.5 141.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.6 m -122.26 117.12 25.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -153.21 154.27 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.931 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 107' ' ' GLY . 14.6 m -82.43 167.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -144.82 93.02 5.71 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 124.846 1.341 . . . . 0.0 109.244 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.23 158.02 41.53 Favored 'Trans proline' 0 C--N 1.363 1.337 0 O-C-N 124.003 1.528 . . . . 0.0 110.94 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.8 p -94.85 -164.39 1.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.871 1.357 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -49.0 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.778 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -64.26 -54.75 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 110.743 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.524 ' CG2' ' C ' ' A' ' 142' ' ' PHE . 10.1 t -158.75 -162.46 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.469 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.2 OUTLIER -150.61 133.49 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.521 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 41.17 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 66.5 p 42.74 -165.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.353 1.033 . . . . 0.0 110.446 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.56 177.32 38.38 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 124.434 1.084 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -43.66 94.72 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 125.203 1.178 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -126.72 33.21 5.0 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.164 . . . . 0.0 109.672 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 t -115.68 -5.7 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.191 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.04 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -104.28 -20.63 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.624 1.203 . . . . 0.0 109.406 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -104.04 36.23 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.558 1.161 . . . . 0.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . 45.55 43.47 10.91 Favored Glycine 0 CA--C 1.533 1.16 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -109.02 147.64 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.679 0.87 . . . . 0.0 109.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.4 mp -81.26 101.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 33.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -61.08 149.83 80.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -22.66 14.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.413 ' CE2' ' OG ' ' A' ' 122' ' ' SER . 7.1 t80 -77.97 -26.41 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.2 tp -80.72 -62.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.257 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -46.19 -42.14 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.85 40.45 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.645 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.8 t90 -81.29 111.57 17.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -119.08 71.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -40.54 159.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.438 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.4 Cg_endo -74.94 1.5 15.54 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 120' ' ' PRO . 49.2 mm-40 -35.48 -64.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.645 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.1 168.63 10.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.908 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -167.32 166.11 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.08 -45.17 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.43 -62.37 1.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.51 -21.7 28.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.438 ' C ' ' N ' ' A' ' 129' ' ' GLN . 0.8 OUTLIER -74.1 -71.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' LEU . 1.3 mp -39.69 -30.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.438 ' N ' ' C ' ' A' ' 127' ' ' LEU . 4.6 tm0? -57.93 -56.62 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.6 OUTLIER -52.34 -44.18 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 135' ' ' PHE . 30.4 mtt -61.33 -53.11 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.6 mt -45.08 -32.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -91.08 -62.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 130' ' ' VAL . 6.2 t -41.93 -45.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' MET . 15.2 m-85 -83.71 -32.25 25.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.54 -15.03 56.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.316 1.01 . . . . 0.0 110.957 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.62 -50.5 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.2 150.01 10.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 124.658 1.224 . . . . 0.0 110.28 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.57 7.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 -12.8 21.2 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.49 1.784 . . . . 0.0 110.721 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 21.4 m -101.42 128.41 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.567 1.167 . . . . 0.0 109.202 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.524 ' C ' ' CG2' ' A' ' 96' ' ' THR . 36.6 t80 -178.75 173.58 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.849 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.458 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.1 OUTLIER -129.4 56.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 124.618 1.199 . . . . 0.0 109.958 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . 0.4 ' CA ' ' CE2' ' A' ' 142' ' ' PHE . 0.4 OUTLIER -56.96 150.71 37.56 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.654 1.87 . . . . 0.0 111.287 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.405 ' O ' ' CB ' ' A' ' 4' ' ' SER . 0.2 OUTLIER -135.07 19.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 79.61 143.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 125.005 1.441 . . . . 0.0 109.677 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -50.24 -27.87 6.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.496 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -46.62 87.05 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.362 1.039 . . . . 0.0 109.934 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' MET . 8.8 tp60 -71.94 -50.22 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 tp -45.74 -38.67 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.566 1.166 . . . . 0.0 109.161 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -65.98 -54.34 27.45 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.74 1.275 . . . . 0.0 109.188 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.03 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.769 1.293 . . . . 0.0 109.103 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.41 ' N ' ' O ' ' A' ' 7' ' ' GLN . 4.7 mmt -69.14 -48.58 62.01 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 0.0 111.131 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 m -86.85 8.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.872 1.357 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 t -75.51 -3.73 35.73 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.543 1.152 . . . . 0.0 109.683 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -99.44 -32.59 11.07 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.986 1.429 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 1.9 m-85 -45.7 128.07 8.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.166 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -44.53 69.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.315 1.009 . . . . 0.0 109.057 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -87.92 -64.41 1.15 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.082 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.3 ttt180 66.65 -66.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.663 1.227 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' TYR . 11.4 t70 -45.51 -44.69 12.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.451 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.9 tt -67.94 -53.2 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.0 m -53.58 -55.35 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 18' ' ' ARG . 11.4 t -57.89 -42.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 O-C-N 124.669 1.231 . . . . 0.0 108.952 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -54.26 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.5 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 4.0 tt0 -66.46 -28.85 68.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.314 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -74.31 -36.11 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -69.5 -39.47 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.42 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.6 t-20 -68.37 -58.2 4.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.62 1.2 . . . . 0.0 109.208 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 72.9 t -39.81 -58.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.408 ' O ' ' C ' ' A' ' 32' ' ' TYR . 3.0 pt -62.97 -56.11 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.208 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -42.79 -45.21 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.295 0.997 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.0 OUTLIER -77.97 -36.43 49.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ILE . 95.2 m-85 -134.74 84.69 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -56.7 -38.78 72.76 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -40.7 -38.12 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.56 1.162 . . . . 0.0 108.933 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.5 mp -75.58 128.89 36.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 134.63 22.41 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 124.529 1.143 . . . . 0.0 109.678 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 138.76 23.54 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.03 157.02 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 109.436 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.3 97.95 6.17 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.603 1.19 . . . . 0.0 109.122 -179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -104.3 124.98 50.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.301 1.0 . . . . 0.0 109.405 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 p -106.72 138.83 42.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.022 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -150.32 177.36 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.085 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 45' ' ' ASN . 1.4 m -118.74 141.1 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.482 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.6 m-85 -68.49 60.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.767 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.9 t-20 69.43 -60.03 0.47 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER -145.54 -40.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 124.793 1.308 . . . . 0.0 109.596 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -24.83 -72.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.709 1.256 . . . . 0.0 110.817 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.2 t -178.33 -178.7 0.64 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.314 0.655 . . . . 0.0 110.281 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -92.39 147.55 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.043 . . . . 0.0 110.051 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -148.97 158.95 44.57 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.011 1.444 . . . . 0.0 110.665 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -108.79 115.48 30.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.61 146.53 45.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.226 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 27.7 ttp -95.51 109.68 21.86 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.55 1.157 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -96.49 138.84 33.47 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 124.432 1.083 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.2 mt -104.48 134.34 47.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.353 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -136.32 123.92 22.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.615 1.197 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 177.78 39.04 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 p -127.81 153.33 46.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 0.69 . . . . 0.0 110.15 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.0 mt -121.69 142.1 35.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.6 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.64 102.25 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.429 1.752 . . . . 0.0 111.129 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 49.7 t -117.24 107.68 45.0 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 124.355 1.034 . . . . 0.0 109.421 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.363 1.301 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -118.89 -63.4 1.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -149.1 64.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.288 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.93 -13.39 67.21 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.388 1.055 . . . . 0.0 110.987 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -107.71 169.07 8.82 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.6 0.824 . . . . 0.0 109.158 -179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -125.84 119.19 27.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.81 1.319 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.78 164.75 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -119.57 86.94 2.65 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.357 1.035 . . . . 0.0 109.416 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.479 ' CG2' ' CD2' ' A' ' 135' ' ' PHE . 26.7 mm -69.6 113.61 18.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.28 128.06 10.97 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.415 1.745 . . . . 0.0 111.221 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.79 150.15 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.525 -179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -129.6 146.82 51.37 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.122 . . . . 0.0 108.465 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.03 157.5 46.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.382 1.051 . . . . 0.0 109.398 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -131.79 136.78 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 107.979 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.8 175.38 5.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.596 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -149.17 171.6 16.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 83.8 m-20 -92.28 -36.65 13.1 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 t -166.36 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -91.34 168.54 13.27 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.96 -35.6 2.87 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.05 0.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 13.1 m-85 -103.65 -57.05 2.1 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.384 1.052 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.55 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.6 m-20 160.55 -49.91 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 154.05 42.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 168.37 24.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.47 139.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.9 m -87.84 138.51 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -145.03 177.92 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.82 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 6.2 p -135.3 150.49 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.159 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -121.55 91.58 48.46 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.76 160.15 41.21 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.754 1.923 . . . . 0.0 110.966 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 p -105.83 -176.5 3.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -76.91 -53.61 7.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -41.93 31.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.61 174.08 6.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.456 1.097 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.0 p -129.22 -171.36 2.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.429 ' O ' ' CG2' ' A' ' 97' ' ' ILE . 0.7 OUTLIER -134.54 100.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.478 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 p -38.46 142.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.302 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -133.54 -142.73 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.936 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -74.56 -42.7 58.32 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -111.45 -50.65 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 1.5 m -52.21 97.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 124.739 1.274 . . . . 0.0 109.355 179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.39 -175.38 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.375 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -14.6 61.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -112.26 32.23 5.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 44.34 39.55 5.63 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.612 1.195 . . . . 0.0 110.958 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.6 141.53 31.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.491 0.759 . . . . 0.0 109.07 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.69 101.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.328 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.31 37.14 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 12.5 mt -53.02 140.47 41.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.06 -20.58 16.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -76.66 -53.32 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.97 -41.95 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -65.18 -52.81 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.23 33.98 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.435 ' N ' ' O ' ' A' ' 113' ' ' TYR . 17.3 t90 -129.22 136.99 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.597 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -176.41 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.3 m-70 168.83 163.21 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.455 ' O ' ' ND1' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -38.54 1.76 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.027 -0.061 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.463 ' O ' ' CD ' ' A' ' 121' ' ' GLN . 1.6 pp0? -111.63 57.33 0.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.8 p -69.68 121.15 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.064 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.6 -179.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 125' ' ' LEU . 14.1 mt -55.24 -48.38 74.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 124' ' ' LEU . 4.7 mp -40.31 -65.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . -56.17 -39.17 80.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.421 ' C ' ' N ' ' A' ' 129' ' ' GLN . 0.2 OUTLIER -54.23 -71.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.6 mp -43.72 -27.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -58.63 -61.07 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -42.98 -47.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 48.8 mtt -57.45 -50.43 73.06 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -45.3 -34.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.54 -59.64 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 130' ' ' VAL . 55.3 t -42.44 -48.69 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.479 ' CD2' ' CG2' ' A' ' 70' ' ' ILE . 16.4 m-85 -81.28 -32.77 33.05 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.11 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -56.33 -26.82 51.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.336 1.022 . . . . 0.0 110.976 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.7 OUTLIER -82.36 -50.5 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.467 0.745 . . . . 0.0 109.268 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 12.1 mt-10 -161.6 152.48 15.11 Favored Pre-proline 0 N--CA 1.446 -0.643 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.21 121.28 6.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.298 1.683 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -74.67 -24.73 13.27 Favored 'Trans proline' 0 C--N 1.364 1.375 0 O-C-N 124.531 1.806 . . . . 0.0 110.905 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.0 m -50.98 -49.34 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.632 1.207 . . . . 0.0 109.208 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.8 -177.95 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.165 0.916 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 59.9 p -104.09 70.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.77 92.2 0.86 Allowed Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.312 1.007 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.362 1.262 0 O-C-N 124.417 1.746 . . . . 0.0 111.091 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 68.9 t 41.76 58.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.693 1.246 . . . . 0.0 109.089 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -48.29 152.42 0.87 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.433 1.083 . . . . 0.0 109.831 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -38.24 32.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 124.287 0.992 . . . . 0.0 110.379 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -43.03 86.05 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.509 1.131 . . . . 0.0 110.146 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' MET . 11.4 tt0 -75.67 -38.15 59.01 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.749 1.281 . . . . 0.0 110.001 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 tt -52.89 -50.43 63.89 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 124.699 1.249 . . . . 0.0 109.225 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.47 -48.98 79.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.467 1.104 . . . . 0.0 109.471 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -58.32 -33.45 69.51 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.632 1.207 . . . . 0.0 109.622 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.416 ' N ' ' O ' ' A' ' 7' ' ' GLN . 2.6 ttm -71.07 -49.52 43.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 124.777 1.298 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.408 ' O ' ' CB ' ' A' ' 18' ' ' ARG . 26.9 m -88.82 13.41 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.508 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -81.3 -23.14 38.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 110.282 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -95.71 -20.18 19.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.005 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.0 125.03 26.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.51 -53.16 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 1.202 . . . . 0.0 109.181 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' THR . 0.2 OUTLIER -89.06 36.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.945 1.403 . . . . 0.0 111.133 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' VAL . 6.3 ptt180 -46.45 -40.41 12.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.654 1.221 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.441 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -76.7 -41.21 46.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 53' ' ' MET . 1.4 m -72.44 -40.3 67.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.4 t -57.54 -46.91 86.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.661 1.226 . . . . 0.0 109.263 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -72.97 -40.92 64.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.78 -40.3 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.416 ' N ' ' O ' ' A' ' 21' ' ' THR . 6.2 m -68.72 -58.28 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -48.22 -47.32 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.528 1.143 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 31' ' ' LEU . 5.6 t-20 -49.29 -69.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 0.0 109.264 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 70.4 t -40.4 -41.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TYR . 17.8 mt -66.9 -57.41 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 26' ' ' VAL . 70.2 m -54.71 -43.09 72.26 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.588 1.18 . . . . 0.0 110.175 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 27' ' ' ASN . 3.0 mm? -62.48 -34.1 76.17 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.378 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 29' ' ' ILE . 5.7 m-85 -139.71 108.6 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -76.18 57.52 1.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.564 1.165 . . . . 0.0 109.448 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.4 -48.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.954 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.47 110.12 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 148.61 34.9 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.357 0.977 0 O-C-N 124.272 1.67 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.47 159.08 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.496 ' CD1' ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -150.53 108.87 3.77 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 124.35 1.032 . . . . 0.0 109.538 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -133.38 144.34 49.52 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.552 1.158 . . . . 0.0 109.531 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 p -87.7 128.18 35.3 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.326 1.016 . . . . 0.0 109.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -109.59 122.32 47.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -41.94 158.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.33 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -163.3 150.25 12.55 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.199 0.937 . . . . 0.0 111.31 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 27.7 t30 68.24 9.43 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.23 0.956 . . . . 0.0 109.61 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 16.8 t0 77.85 26.56 0.62 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.992 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.03 -61.26 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.673 1.233 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 60.3 m -45.16 168.08 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 O-C-N 124.375 0.691 . . . . 0.0 109.77 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -145.27 107.79 4.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.661 1.225 . . . . 0.0 110.117 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 ttp180 -95.38 148.81 22.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.175 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -90.11 117.39 28.85 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.761 1.288 . . . . 0.0 110.534 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -127.01 148.43 50.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.615 1.197 . . . . 0.0 109.654 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 21' ' ' THR . 22.4 ptm -105.11 153.15 21.9 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.732 1.27 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -145.05 147.57 32.74 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.54 111.17 23.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.8 m -110.93 137.62 48.34 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.223 0.952 . . . . 0.0 110.649 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.26 -161.3 28.73 Favored Glycine 0 CA--C 1.528 0.863 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -140.28 143.36 35.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 0.702 . . . . 0.0 110.195 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 pt -112.41 152.6 44.68 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.607 1.192 . . . . 0.0 108.97 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.82 102.76 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.614 1.85 . . . . 0.0 111.129 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.8 93.69 46.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.354 1.034 . . . . 0.0 109.592 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.82 144.64 31.18 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.608 1.846 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -179.39 35.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.61 1.193 . . . . 0.0 110.926 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -168.08 34.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.261 0.975 . . . . 0.0 110.431 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.18 -7.12 76.93 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -148.7 -174.89 4.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 0.743 . . . . 0.0 109.447 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -97.19 141.57 30.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.182 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.09 162.74 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -107.02 82.23 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.367 1.042 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 25.6 mm -74.21 114.31 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.201 . . . . 0.0 109.288 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 130.97 13.91 Favored 'Trans proline' 0 C--N 1.362 1.288 0 O-C-N 124.605 1.845 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pt -135.88 157.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 O-C-N 124.269 0.981 . . . . 0.0 109.248 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.85 141.13 42.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -123.95 148.29 47.03 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.781 1.3 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 81.6 m95 -121.2 139.58 53.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.7 mp -120.59 -176.16 3.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.558 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -151.28 172.89 15.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.579 1.174 . . . . 0.0 109.224 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.4 -35.53 54.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.42 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.14 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -127.63 164.85 33.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 111.011 179.649 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.17 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.91 0.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -76.84 107.8 9.42 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.719 1.262 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 3.1 t-20 -48.12 -48.63 63.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.95 148.35 35.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.97 165.22 31.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.2 mp -102.02 144.35 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 85.9 m -93.16 131.99 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 108.235 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -140.0 162.34 35.44 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.644 1.215 . . . . 0.0 110.921 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.421 ' CG2' ' CA ' ' A' ' 107' ' ' GLY . 8.7 m -120.81 157.37 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.285 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.98 91.56 42.33 Favored Pre-proline 0 N--CA 1.451 -0.375 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -74.62 159.34 42.73 Favored 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.803 1.949 . . . . 0.0 111.161 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 p -105.84 -152.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.697 1.248 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -44.77 4.97 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 t -59.19 -56.07 26.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.84 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -78.47 -174.61 3.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.7 1.25 . . . . 0.0 110.821 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.8 t -134.26 -158.11 0.86 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.117 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.51 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -136.93 89.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.666 1.228 . . . . 0.0 109.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 140' ' ' PRO . 0.1 OUTLIER -64.48 86.15 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 p -41.29 139.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.285 0.99 . . . . 0.0 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.34 -163.68 9.78 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -29.33 60.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.453 ' O ' ' N ' ' A' ' 110' ' ' TYR . 4.5 p80 -109.7 -28.83 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.6 t -82.66 98.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -74.84 -179.49 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.56 -2.83 51.45 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 109.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -109.87 18.08 20.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.421 ' CA ' ' CG2' ' A' ' 89' ' ' VAL . . . 57.54 38.49 87.67 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.442 1.088 . . . . 0.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -108.23 132.46 53.63 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.503 0.767 . . . . 0.0 109.397 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 28.9 mm -80.36 99.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.453 ' N ' ' O ' ' A' ' 102' ' ' HIS . 0.4 OUTLIER -97.13 85.13 3.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.3 mt -100.45 108.75 54.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -5.43 16.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 111.059 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -55.44 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.404 ' O ' ' O ' ' A' ' 117' ' ' TRP . 2.5 pp -81.57 -7.05 59.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 65.3 t60 -70.37 -46.33 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.31 9.87 16.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.404 ' O ' ' O ' ' A' ' 114' ' ' LEU . 23.1 t90 -129.37 154.85 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.952 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.6 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -166.99 104.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.378 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.6 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 63.01 165.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -52.37 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.027 -0.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -47.06 -50.11 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.927 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 127' ' ' LEU . 4.9 m-20 -148.25 -176.97 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mp -48.4 -38.17 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.505 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 1.0 OUTLIER -69.72 -59.91 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.6 -15.6 33.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.459 ' N ' ' O ' ' A' ' 123' ' ' ASP . 16.7 mt -82.97 -53.97 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 mm -59.15 -16.61 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.12 -59.34 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.5 OUTLIER -44.65 -43.19 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 135' ' ' PHE . 35.6 mtt -64.88 -53.55 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.0 mt -44.9 -31.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -93.33 -63.26 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 130' ' ' VAL . 13.7 t -41.89 -42.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.457 ' N ' ' O ' ' A' ' 131' ' ' MET . 6.1 m-85 -89.11 -30.28 18.75 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.26 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.6 70.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.65 -54.61 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.45 118.65 4.2 Favored Pre-proline 0 N--CA 1.447 -0.608 0 O-C-N 124.776 1.297 . . . . 0.0 110.486 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.51 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 18.7 Cg_endo -74.56 145.34 33.17 Favored 'Trans proline' 0 C--N 1.356 0.965 0 O-C-N 124.4 1.737 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.439 ' O ' ' N ' ' A' ' 98' ' ' LYS . 17.9 Cg_endo -75.43 -24.33 12.26 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.251 1.658 . . . . 0.0 110.801 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.492 ' CG1' ' N ' ' A' ' 142' ' ' PHE . 0.3 OUTLIER -53.29 -48.45 55.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 124.958 1.411 . . . . 0.0 109.437 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 143' ' ' SER . 1.4 t80 49.95 -139.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 142' ' ' PHE . 1.9 t 88.79 24.39 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.863 1.352 . . . . 0.0 110.083 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.3 85.29 55.51 Favored Pre-proline 0 C--N 1.322 -0.627 0 O-C-N 124.343 1.027 . . . . 0.0 110.392 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.357 1.019 0 O-C-N 124.605 1.845 . . . . 0.0 110.991 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.6 p -163.49 67.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.548 1.155 . . . . 0.0 109.094 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 146.09 26.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.177 0.923 . . . . 0.0 110.392 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -46.79 -34.19 5.06 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -40.94 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.463 1.102 . . . . 0.0 109.925 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.406 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.5 OUTLIER -68.64 -43.33 76.51 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 124.84 1.337 . . . . 0.0 110.283 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.7 tp -58.82 -41.78 87.63 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.986 1.429 . . . . 0.0 109.218 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -68.11 -48.58 65.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 109.158 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -22.62 67.02 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.78 1.3 . . . . 0.0 109.375 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.406 ' N ' ' O ' ' A' ' 7' ' ' GLN . 13.7 mtt -78.04 -49.23 14.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.886 179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.3 m -99.87 20.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.596 1.185 . . . . 0.0 108.901 -179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -78.49 1.27 22.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 124.215 0.947 . . . . 0.0 110.247 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -98.64 -13.61 20.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.583 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -65.79 164.51 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -98.6 -39.29 8.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.487 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 21' ' ' THR . 5.2 m-85 -101.48 36.27 2.07 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' O ' ' N ' ' A' ' 22' ' ' VAL . 18.5 mtp180 -39.97 -71.04 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.759 1.287 . . . . 0.0 110.429 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 3.2 m-20 -39.93 -32.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.688 1.242 . . . . 0.0 109.392 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -77.65 -50.91 11.51 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.643 1.214 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.459 ' N ' ' O ' ' A' ' 17' ' ' TYR . 8.7 m -62.46 -27.84 69.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 ' N ' ' O ' ' A' ' 18' ' ' ARG . 6.6 t -77.25 -40.75 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.494 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.07 -52.51 64.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.497 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 12.7 pt-20 -63.56 -40.35 96.77 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m -61.78 -38.81 89.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -71.43 -45.96 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.407 -179.737 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.46 ' O ' ' N ' ' A' ' 31' ' ' LEU . 41.4 t-20 -64.95 -52.28 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.285 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.497 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 39.8 t -43.14 -62.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' TYR . 3.0 pt -62.01 -55.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m -42.5 -46.12 4.7 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.574 1.171 . . . . 0.0 110.526 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.46 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -67.29 -44.84 78.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.633 1.208 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 132' ' ' ILE . 38.0 m-85 -132.83 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -81.75 56.94 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.73 -46.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.926 1.391 . . . . 0.0 109.103 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -67.24 128.44 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 124.282 0.989 . . . . 0.0 109.289 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 139.08 20.69 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 109.391 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -75.14 136.95 20.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 O-C-N 124.413 1.744 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.08 157.89 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.364 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -122.91 116.11 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.203 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -144.58 135.36 24.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.467 1.104 . . . . 0.0 109.024 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.8 p -100.58 159.07 15.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -129.64 114.65 16.29 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.383 1.052 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -81.1 107.67 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 O-C-N 124.918 1.386 . . . . 0.0 109.505 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -82.07 162.45 22.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.21 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -38.43 -41.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.208 0.943 . . . . 0.0 109.477 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -156.39 45.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.953 1.408 . . . . 0.0 109.382 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.67 2.86 6.51 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 49.5 m 62.43 171.36 0.13 Allowed 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.7 0.882 . . . . 0.0 109.983 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -77.04 80.7 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.63 123.47 18.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.115 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -71.19 112.81 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.792 1.307 . . . . 0.0 110.4 179.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -132.95 149.35 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.595 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.14 124.56 47.95 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -104.01 156.14 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -116.11 100.89 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.175 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -105.34 136.67 44.44 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.361 1.038 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.5 174.51 39.74 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.557 1.161 . . . . 0.0 110.92 -179.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -128.26 119.41 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 0.821 . . . . 0.0 110.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 10.3 mt -94.35 140.52 22.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -74.92 128.97 11.98 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.251 1.658 . . . . 0.0 110.842 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 6.4 t -125.84 97.38 35.82 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.416 1.072 . . . . 0.0 109.16 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.14 93.07 0.97 Allowed 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.697 1.893 . . . . 0.0 111.009 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 14.8 t80 -85.2 83.9 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.95 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.16 -36.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.456 1.097 . . . . 0.0 111.053 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' O ' ' N ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -83.16 146.65 28.52 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.411 0.713 . . . . 0.0 109.497 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.6 m -108.54 136.62 47.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.184 0.927 . . . . 0.0 110.254 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -109.59 162.63 14.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.929 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -111.18 68.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.616 1.198 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.25 107.52 0.86 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.606 1.191 . . . . 0.0 109.267 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 136.0 19.93 Favored 'Trans proline' 0 C--N 1.362 1.289 0 O-C-N 124.578 1.831 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 pt -142.68 155.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.662 1.226 . . . . 0.0 109.036 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -140.0 139.35 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.56 158.77 25.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.983 1.427 . . . . 0.0 109.432 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -126.63 122.0 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.05 167.79 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.545 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -143.04 163.31 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -81.2 -38.75 26.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.271 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.0 t -175.52 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.418 1.074 . . . . 0.0 110.433 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.9 170.22 7.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 O-C-N 124.435 1.084 . . . . 0.0 111.085 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.71 -35.21 3.0 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.091 -2.462 . . . . 0.0 111.358 -0.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.438 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 69.6 m-85 -95.67 -65.86 0.95 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.563 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.6 m-20 160.36 -49.26 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 124.542 1.151 . . . . 0.0 109.106 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.5 Cg_endo -74.97 145.56 31.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.9 mt -104.76 160.24 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 68.3 m -121.95 134.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.249 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -139.17 132.76 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.51 138.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.384 1.053 . . . . 0.0 109.541 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -105.8 112.48 64.43 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.824 1.327 . . . . 0.0 109.261 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.363 1.302 0 O-C-N 124.264 1.665 . . . . 0.0 110.817 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.9 p -136.94 163.52 30.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.551 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -87.3 -32.43 19.68 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.425 1.078 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -41.35 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.722 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.447 ' CG ' ' CG1' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -140.63 147.03 38.7 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -60.84 -161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' N ' ' OG1' ' A' ' 96' ' ' THR . 13.3 tt -124.4 126.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.396 1.06 . . . . 0.0 108.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -79.8 104.7 10.56 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.106 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.8 p -83.24 143.1 30.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.335 1.022 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.46 -128.2 1.43 Allowed Glycine 0 CA--C 1.533 1.199 0 O-C-N 124.471 1.107 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -85.46 -62.22 1.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 124.746 0.909 . . . . 0.0 109.317 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.446 ' O ' ' N ' ' A' ' 110' ' ' TYR . 6.3 p80 -70.81 -48.77 52.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 39.5 t -74.51 94.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.59 1.181 . . . . 0.0 109.136 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.74 -19.1 38.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.739 1.274 . . . . 0.0 109.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.52 34.01 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.202 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 44.22 53.84 6.51 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.579 1.174 . . . . 0.0 110.939 179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -117.8 149.24 41.13 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.646 0.851 . . . . 0.0 109.466 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.4 mm -80.64 102.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.732 1.27 . . . . 0.0 109.268 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 102' ' ' HIS . 1.3 t80 -110.23 50.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 30.4 mt -75.23 150.2 85.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -18.18 18.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -28.41 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -33.21 59.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.12 36.29 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.539 ' CG ' ' OG ' ' A' ' 122' ' ' SER . 2.8 t90 -82.11 102.22 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.616 1.197 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.574 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -139.88 14.17 2.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.574 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.63 163.48 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.3 Cg_endo -75.08 -15.34 22.56 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.99 0.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -36.74 -66.53 0.22 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.539 ' OG ' ' CG ' ' A' ' 117' ' ' TRP . 15.3 t -93.42 164.08 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.443 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -179.68 149.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.406 ' O ' ' CD1' ' A' ' 128' ' ' ILE . 0.2 OUTLIER -40.23 -38.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -68.27 -59.85 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.94 -20.36 40.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 123' ' ' ASP . 1.6 mm? -68.58 -53.7 21.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.406 ' CD1' ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -69.49 -19.42 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.38 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.21 -56.31 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -54.27 -46.8 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.462 ' O ' ' CG ' ' A' ' 135' ' ' PHE . 43.0 mtt -57.88 -39.81 78.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 mt -63.5 -30.35 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' VAL . 57.6 t -86.52 -64.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 130' ' ' VAL . 6.7 t -40.49 -50.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.462 ' CG ' ' O ' ' A' ' 131' ' ' MET . 10.7 m-30 -76.96 -31.24 56.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.558 1.162 . . . . 0.0 111.226 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.53 -12.18 51.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.366 1.041 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.66 -48.7 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.02 151.8 18.14 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.791 1.307 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.82 113.76 3.87 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 17.9 Cg_endo -75.47 -0.03 9.64 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.455 ' O ' ' N ' ' A' ' 98' ' ' LYS . 57.6 t -86.73 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.269 0.981 . . . . 0.0 109.2 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 t80 58.13 173.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.224 0.952 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.82 41.92 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.706 1.254 . . . . 0.0 109.892 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 6.6 ttm180 -39.0 99.44 0.19 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.448 -1.195 0 O-C-N 124.65 1.869 . . . . 0.0 110.966 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 4' ' ' SER . 97.1 t -81.88 51.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 125.078 1.486 . . . . 0.0 109.139 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 80.68 166.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.33 1.019 . . . . 0.0 109.795 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.66 -37.22 62.94 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.97 1.419 . . . . 0.0 110.323 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -48.98 -42.06 36.43 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 124.425 1.078 . . . . 0.0 109.7 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -70.82 -43.26 68.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.192 0.933 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.97 -36.42 67.82 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.808 1.317 . . . . 0.0 109.284 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 31.5 mttt -78.83 -29.45 44.69 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -46.96 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.419 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 23.0 ptp -62.47 -36.32 82.09 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 124.848 1.343 . . . . 0.0 110.994 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.2 m -90.12 -3.72 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 124.708 1.255 . . . . 0.0 108.906 -179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 t -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 -35.96 37.49 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.267 0.979 . . . . 0.0 109.096 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.581 ' CE1' ' OD1' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -51.19 111.17 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.659 1.224 . . . . 0.0 111.04 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.8 tttt -45.42 -64.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.047 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.9 m-30 -80.14 52.63 1.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 125.117 1.511 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.447 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -63.06 -52.68 61.8 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.325 1.016 . . . . 0.0 110.016 -179.938 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.72 -37.4 50.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.374 1.046 . . . . 0.0 109.315 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -52.84 8.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.859 1.35 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.415 ' N ' ' O ' ' A' ' 17' ' ' TYR . 16.8 m -53.8 -42.69 68.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ARG . 24.5 t -66.47 -39.85 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 O-C-N 124.536 1.148 . . . . 0.0 109.679 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -59.79 -52.03 67.2 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.417 1.073 . . . . 0.0 110.177 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -67.84 -35.28 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -64.45 -43.95 92.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -72.03 -42.46 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.365 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.494 ' O ' ' N ' ' A' ' 31' ' ' LEU . 7.7 m-80 -63.97 -49.88 70.77 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.189 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 23.7 t -49.57 -71.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' O ' ' O ' ' A' ' 32' ' ' TYR . 2.8 pt -43.57 -54.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 m -53.92 -42.37 68.68 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.151 . . . . 0.0 110.059 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.494 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -52.48 -43.62 65.12 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.669 1.23 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.51 ' CE1' ' CG2' ' A' ' 59' ' ' ILE . 22.6 m-85 -104.17 -175.16 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 51.6 mmtt -141.02 51.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.883 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 m-20 173.54 52.28 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.22 0.95 . . . . 0.0 109.416 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 mp -118.12 152.03 36.41 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.47 110.53 5.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.202 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.45 134.92 17.64 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 124.556 1.819 . . . . 0.0 110.762 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -121.2 162.68 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -137.43 108.08 6.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.608 1.193 . . . . 0.0 108.861 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.84 132.44 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.6 p -107.28 148.82 28.49 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -131.05 119.55 22.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.35 1.031 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -82.95 136.46 22.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.225 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.427 ' O ' ' C ' ' A' ' 45' ' ' ASN . 9.8 m-85 -91.15 26.5 2.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.771 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 44' ' ' PHE . 1.2 m120 38.76 32.31 0.06 Allowed 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.23 0.956 . . . . 0.0 109.611 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 44' ' ' PHE . 6.2 m-20 165.76 -32.93 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.595 1.184 . . . . 0.0 109.043 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.47 19.43 32.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.79 1.306 . . . . 0.0 111.086 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m 65.19 174.77 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.38 0.694 . . . . 0.0 109.883 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -85.47 112.76 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.793 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -97.92 114.96 27.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.365 1.041 . . . . 0.0 110.404 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -83.45 113.5 20.81 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.548 1.155 . . . . 0.0 110.231 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -119.78 148.05 43.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.384 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.2 ptm -115.5 133.0 56.45 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 124.759 1.287 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.61 144.16 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.3 mt -109.07 115.83 30.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.374 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 t -122.19 142.71 50.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.706 1.254 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.49 170.66 43.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 p -121.02 118.2 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.51 ' CG2' ' CE1' ' A' ' 32' ' ' TYR . 7.6 pt -92.28 150.94 41.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.098 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.25 147.13 32.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.391 1.732 . . . . 0.0 110.815 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -149.85 110.01 3.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.434 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.67 95.36 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.83 . . . . 0.0 111.071 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.8 t80 -88.62 82.97 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.558 1.162 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 4.2 mmm180 88.06 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.87 -30.78 0.15 Allowed Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.48 1.112 . . . . 0.0 111.072 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -77.45 152.97 33.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.276 0.633 . . . . 0.0 109.712 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -92.96 118.09 30.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.181 0.926 . . . . 0.0 110.463 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -102.37 150.29 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.856 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -120.05 86.94 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.3 mt -84.37 123.54 74.78 Favored Pre-proline 0 C--N 1.32 -0.692 0 O-C-N 124.38 1.05 . . . . 0.0 109.309 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.475 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 18.7 Cg_endo -75.05 156.04 42.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.591 1.838 . . . . 0.0 111.244 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 2.7 pp -157.66 133.78 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.734 1.272 . . . . 0.0 109.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -114.86 153.68 30.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.552 1.158 . . . . 0.0 108.06 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.83 125.86 12.08 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.004 1.44 . . . . 0.0 109.319 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 50.9 m95 -97.42 143.77 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 108.042 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -113.88 179.44 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.24 -179.05 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.581 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -112.03 -32.08 6.69 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 124.669 1.231 . . . . 0.0 109.172 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 173.81 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -152.65 165.36 17.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.897 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -74.75 -56.79 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.077 -0.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -67.16 102.74 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.639 1.212 . . . . 0.0 111.073 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.653 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -59.09 -43.64 97.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.0 Cg_endo -75.03 140.08 24.96 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.483 1.78 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 165.52 31.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.419 1.747 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.97 148.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 84.7 m -124.59 133.55 53.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 7.1 p90 -166.55 149.74 6.99 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 107' ' ' GLY . 11.1 p -87.9 147.74 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.221 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.87 128.63 47.29 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.557 1.161 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.81 144.8 31.42 Favored 'Trans proline' 0 C--N 1.355 0.902 0 O-C-N 124.872 1.985 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.5 p -117.34 -179.13 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.9 p -81.21 -38.69 26.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.394 1.058 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -87.74 -53.32 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 18.7 mtm -86.12 165.26 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.562 1.164 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 14.3 t -137.74 -153.42 0.48 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.634 1.208 . . . . 0.0 110.666 179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 17.8 mt -132.22 114.38 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.404 1.065 . . . . 0.0 109.628 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.38 96.64 3.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.118 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.0 p -54.74 135.9 46.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.24 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.28 -136.52 2.21 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -86.27 -61.01 1.84 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -33.9 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.661 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.6 t -89.29 86.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.414 1.071 . . . . 0.0 109.177 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.87 -159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.659 1.224 . . . . 0.0 109.471 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.34 -17.34 37.09 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.261 0.976 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.51 29.14 5.0 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.461 1.101 . . . . 0.0 109.417 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.409 ' O ' ' N ' ' A' ' 89' ' ' VAL . . . 43.03 26.91 0.54 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.574 1.171 . . . . 0.0 111.171 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.4 ttpp -84.9 144.9 28.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 124.381 0.695 . . . . 0.0 109.153 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 19.6 mm -82.47 98.34 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 29.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 20.6 mt -52.2 153.78 4.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.11 18.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -44.55 23.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.0 tt -66.84 -43.3 84.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -60.52 -38.59 84.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.613 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 32.77 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.523 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.4 t90 -83.81 109.2 17.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.066 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -120.07 74.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.434 ' ND1' ' C ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -41.62 162.19 0.13 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.442 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.6 Cg_endo -74.98 1.88 15.34 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.053 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.442 ' C ' ' O ' ' A' ' 120' ' ' PRO . 37.9 mm-40 -34.65 -65.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.523 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.03 162.41 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -158.93 158.79 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 128' ' ' ILE . 6.3 mp -45.01 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -51.3 -55.09 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.83 -43.14 99.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 123' ' ' ASP . 0.4 OUTLIER -61.88 -62.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.943 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 124' ' ' LEU . 26.2 mm -45.1 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -59.15 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -51.06 -46.69 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.594 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 9.7 mtt -61.72 -30.42 70.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.08 -31.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.44 -61.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.434 ' N ' ' O ' ' A' ' 130' ' ' VAL . 46.6 t -40.61 -49.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 131' ' ' MET . 10.8 m-30 -79.56 -31.98 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.12 -21.23 45.68 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.3 OUTLIER -95.82 -50.13 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 9.6 mt-10 -164.72 127.65 1.63 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.446 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 150.46 38.01 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.79 -32.34 5.8 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.585 1.834 . . . . 0.0 111.17 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 142' ' ' PHE . 1.2 p -55.98 165.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 124.869 1.356 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 143' ' ' SER . 0.4 OUTLIER 172.7 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.397 1.061 . . . . 0.0 111.139 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.626 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.3 OUTLIER 171.78 36.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.78 1.3 . . . . 0.0 109.968 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.53 140.33 0.06 OUTLIER Pre-proline 0 N--CA 1.452 -0.345 0 O-C-N 124.582 1.176 . . . . 0.0 110.345 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.362 1.273 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.841 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 23.4 m -90.61 -5.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.412 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER 77.46 153.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.411 1.07 . . . . 0.0 110.002 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.26 -25.8 67.05 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 124.588 1.18 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -40.21 80.55 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.651 1.219 . . . . 0.0 110.037 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 4.1 tp60 -80.78 -38.14 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.65 -45.88 84.91 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 124.741 1.276 . . . . 0.0 109.4 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' SER . 7.6 mttt -71.36 -62.29 1.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.95 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -45.45 -29.37 1.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ttm -69.44 -49.62 53.38 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.664 1.228 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.7 m -97.62 20.16 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.404 1.065 . . . . 0.0 109.459 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.4 m -82.31 -35.96 27.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.595 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -34.82 42.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.226 0.954 . . . . 0.0 109.336 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 4.9 m-85 -54.71 166.41 0.48 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -53.27 3.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.394 1.059 . . . . 0.0 109.344 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.45 36.9 0.89 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.329 1.018 . . . . 0.0 111.021 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 22' ' ' VAL . 17.9 ptt180 -42.73 -33.75 0.79 Allowed 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.693 1.246 . . . . 0.0 110.337 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.37 -46.31 77.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 109.135 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -70.38 -33.93 71.98 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.714 1.259 . . . . 0.0 109.209 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 22.4 m -72.19 -51.55 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.458 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.429 ' N ' ' O ' ' A' ' 18' ' ' ARG . 15.5 t -58.86 -41.59 83.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.547 1.155 . . . . 0.0 109.666 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.93 -52.67 64.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.382 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -59.37 -38.44 80.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.339 1.025 . . . . 0.0 110.364 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.28 -37.51 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -70.09 -42.6 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.116 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.454 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.8 t-20 -67.59 -54.03 23.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.657 1.223 . . . . 0.0 109.164 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.5 t -42.01 -60.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.0 pt -61.94 -56.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -42.75 -44.91 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.454 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -69.38 -44.99 70.38 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.756 1.285 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 41.2 m-85 -127.57 113.71 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -85.16 57.77 4.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.333 1.021 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -47.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 6.2 mp -63.19 126.3 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.612 1.195 . . . . 0.0 109.341 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.35 130.44 22.77 Favored Pre-proline 0 N--CA 1.449 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.644 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -74.42 135.94 20.97 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.367 1.719 . . . . 0.0 111.272 179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.88 159.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.678 1.236 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.425 ' CD1' ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -136.05 104.2 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.535 1.147 . . . . 0.0 109.449 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 145.78 50.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 p -106.25 155.87 19.05 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 109.894 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -147.52 161.71 40.54 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.424 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -98.55 121.85 49.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 124.418 1.073 . . . . 0.0 109.604 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 6.7 m-85 -66.59 69.3 0.07 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.79 1.306 . . . . 0.0 111.381 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 43' ' ' VAL . 4.8 t-20 75.57 -49.41 0.62 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.649 1.218 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 47' ' ' GLY . 1.3 t70 179.01 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 125.011 1.444 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -33.02 -59.81 0.45 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.3 p -176.21 174.2 2.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 124.56 0.8 . . . . 0.0 109.804 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p -91.39 153.57 19.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.349 1.031 . . . . 0.0 110.181 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 148.42 31.78 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.457 1.098 . . . . 0.0 110.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -101.51 123.61 45.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 124.807 1.317 . . . . 0.0 110.413 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -133.41 154.87 50.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.433 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 ttm -103.14 119.96 39.81 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.739 1.274 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -106.56 124.92 50.33 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.4 mt -98.11 116.34 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.452 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -122.06 132.98 54.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -159.01 177.26 35.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.079 . . . . 0.0 111.076 179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 p -119.92 119.08 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 0.767 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 3.7 mp -102.07 139.58 20.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 108.995 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 130.79 13.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.09 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.477 ' O ' ' CG1' ' A' ' 61' ' ' VAL . 2.5 t -123.13 81.82 51.51 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.606 1.191 . . . . 0.0 109.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 133.19 16.2 Favored 'Trans proline' 0 C--N 1.364 1.377 0 O-C-N 124.667 1.877 . . . . 0.0 111.096 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -178.89 39.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.8 34.85 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.22 -20.27 17.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 61.8 m-20 -128.99 179.57 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.014 -179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -115.11 141.24 48.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.785 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -90.06 175.12 7.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.403 1.064 . . . . 0.0 110.893 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -125.79 71.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.297 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.5 mt -90.75 113.12 56.82 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 124.678 1.236 . . . . 0.0 109.285 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.42 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 18.3 Cg_endo -74.92 162.92 36.48 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 O-C-N 124.349 1.71 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.42 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 2.1 pp -153.05 134.47 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 t -112.78 148.7 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 108.38 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 tt -140.54 121.82 14.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.474 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 96.1 m95 -93.43 135.21 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.5 mp -105.69 177.58 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -150.14 172.95 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.31 -36.85 17.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -178.33 -32.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -102.08 169.2 7.92 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.628 1.205 . . . . 0.0 111.042 179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.94 -36.07 2.71 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.928 -0.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.425 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 20.8 m-85 -91.69 -69.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.351 1.032 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.545 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.3 m-20 161.08 -50.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.03 154.18 42.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.474 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.0 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.38 139.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 61.6 m -82.72 136.81 34.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.95 169.5 19.73 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.62 1.2 . . . . 0.0 110.868 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.0 p -125.64 151.77 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.223 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.4 90.17 41.85 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.717 1.261 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.12 140.03 24.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.213 1.638 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -97.0 -174.02 2.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.676 1.235 . . . . 0.0 110.246 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.01 -49.13 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.338 1.024 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.83 76.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.927 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -93.99 -179.41 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.136 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 10.2 t -128.45 -158.32 0.87 Allowed 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.471 1.107 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.7 OUTLIER -131.9 141.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.191 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 142' ' ' PHE . 3.6 tttm -99.24 75.55 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -46.66 136.74 7.54 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.76 -136.61 2.02 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.56 1.162 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.74 -32.84 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -103.63 -27.71 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.363 1.039 . . . . 0.0 109.511 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.58 -21.87 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.411 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.82 -161.19 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.72 1.262 . . . . 0.0 109.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.5 -24.49 13.43 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.811 1.319 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -102.94 29.73 5.24 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 124.53 1.144 . . . . 0.0 109.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 43.1 52.25 5.89 Favored Glycine 0 CA--C 1.534 1.225 0 O-C-N 124.588 1.18 . . . . 0.0 110.998 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -113.79 114.91 26.96 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.756 0.915 . . . . 0.0 109.393 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 111' ' ' LEU . 12.6 mm -54.23 96.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 O-C-N 124.504 1.128 . . . . 0.0 109.155 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 31.57 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.417 ' CD1' ' CG2' ' A' ' 109' ' ' ILE . 29.8 mt -52.53 118.9 13.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -16.41 20.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 117' ' ' TRP . 4.5 m-85 -85.82 -59.73 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.0 -38.64 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.72 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -102.67 36.8 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.435 ' NE1' ' O ' ' A' ' 119' ' ' HIS . 10.5 t90 -100.83 -103.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 107.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 40.45 72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.251 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.435 ' O ' ' NE1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 171.26 150.86 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 -8.54 23.42 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.098 -0.094 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -165.28 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 121' ' ' GLN . 0.4 OUTLIER -39.39 158.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.09 -179.92 8.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 mt -46.28 -50.36 16.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.2 mp -51.08 -56.47 12.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.63 -35.09 61.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.444 ' C ' ' N ' ' A' ' 129' ' ' GLN . 4.2 mp -59.97 -73.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.19 -27.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 127' ' ' LEU . 12.1 tt0 -59.38 -60.78 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.485 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.5 OUTLIER -48.82 -45.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.444 ' O ' ' N ' ' A' ' 135' ' ' PHE . 38.8 mtt -58.27 -54.48 46.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.65 -29.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.94 -63.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.485 ' N ' ' O ' ' A' ' 130' ' ' VAL . 17.6 t -43.0 -40.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.444 ' N ' ' O ' ' A' ' 131' ' ' MET . 6.2 m-85 -89.49 -30.58 18.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.4 -18.87 70.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.386 1.054 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.73 -41.02 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -146.07 118.42 5.06 Favored Pre-proline 0 N--CA 1.45 -0.462 0 O-C-N 124.132 0.895 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.66 113.46 3.8 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.22 -0.29 9.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.41 1.742 . . . . 0.0 110.786 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.5 t -76.19 -25.79 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 124.076 0.86 . . . . 0.0 109.17 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' LYS . 2.5 t80 -66.28 -170.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.173 0.921 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 8.6 t -128.55 61.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 62.02 137.96 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.362 1.264 0 O-C-N 124.607 1.846 . . . . 0.0 111.033 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.58 -60.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.406 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 5' ' ' GLU . 2.5 p -179.81 -152.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.57 1.169 . . . . 0.0 109.893 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' N ' ' OG ' ' A' ' 4' ' ' SER . 5.4 pt-20 -57.79 -17.11 13.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.289 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -54.59 7.42 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.412 1.07 . . . . 0.0 109.764 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -64.15 -54.81 27.99 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.348 -179.618 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -48.96 -45.75 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.17 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -65.37 -58.93 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 0.0 109.109 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -52.87 -24.65 9.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.209 0.943 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLN . 22.6 mtt -81.76 -43.14 18.79 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.132 0.895 . . . . 0.0 111.247 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 31.8 m -89.49 13.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 t -78.83 -38.25 38.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.087 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -72.6 -28.46 62.8 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.848 1.343 . . . . 0.0 108.854 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -58.31 145.41 37.99 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.711 1.257 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -82.42 -57.35 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' THR . 17.4 m-85 -84.99 44.96 1.12 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.649 1.218 . . . . 0.0 111.041 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 22' ' ' VAL . 11.5 ttt180 -56.09 -67.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.141 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -28.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.376 1.047 . . . . 0.0 109.488 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -81.78 -49.75 10.04 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 17' ' ' TYR . 15.8 m -63.15 -51.01 68.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.0 t -58.52 -42.99 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 O-C-N 124.5 1.125 . . . . 0.0 109.505 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.09 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.394 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -61.75 -35.72 78.92 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 124.569 1.168 . . . . 0.0 110.383 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -69.75 -59.79 2.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -40.76 -39.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.284 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.431 ' O ' ' N ' ' A' ' 31' ' ' LEU . 4.1 t-20 -70.77 -61.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASN . 22.1 t -39.37 -54.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.331 1.019 . . . . 0.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.405 ' O ' ' C ' ' A' ' 32' ' ' TYR . 2.8 pt -65.19 -55.2 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.4 m -44.95 -45.08 10.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.829 1.331 . . . . 0.0 109.937 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.7 OUTLIER -72.71 -41.5 65.2 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.795 1.31 . . . . 0.0 109.18 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.9 m-85 -128.88 86.2 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -41.07 69.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.915 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -41.71 -45.82 3.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.281 0.988 . . . . 0.0 109.435 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 7.9 mp -65.13 131.1 45.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.622 1.201 . . . . 0.0 109.303 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.67 128.84 25.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.62 1.2 . . . . 0.0 109.472 179.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 142.28 28.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.563 1.823 . . . . 0.0 111.064 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 t -130.27 164.8 32.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.589 1.18 . . . . 0.0 109.203 -179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -127.56 109.82 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.033 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.14 122.09 46.78 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.7 p -98.81 135.46 40.24 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.786 1.304 . . . . 0.0 110.104 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.7 168.96 18.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -108.66 133.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.422 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.47 ' O ' ' N ' ' A' ' 46' ' ' ASP . 13.8 m-85 -68.47 58.54 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.376 1.048 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.8 t30 69.82 -60.28 0.48 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.392 1.058 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -140.46 -41.09 0.42 Allowed 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.793 1.308 . . . . 0.0 109.162 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -27.23 -71.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.308 1.005 . . . . 0.0 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.16 176.73 0.04 OUTLIER 'General case' 0 C--O 1.238 0.46 0 O-C-N 124.751 0.912 . . . . 0.0 110.334 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.6 p -72.6 159.27 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.159 0.912 . . . . 0.0 109.965 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 162.94 39.27 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.349 1.031 . . . . 0.0 110.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -107.08 120.29 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.616 1.197 . . . . 0.0 110.444 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -131.17 118.82 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.7 ttp -79.46 156.41 27.86 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.39 132.45 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -88.86 119.69 29.58 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.316 1.01 . . . . 0.0 109.275 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.2 m -124.17 132.24 53.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 124.459 1.1 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.76 40.54 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.365 1.041 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -120.67 117.26 27.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 30.3 mt -97.02 141.47 23.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 108.982 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.82 128.85 11.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.587 1.835 . . . . 0.0 111.173 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.25 115.1 15.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.618 1.199 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.4 124.09 8.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.409 1.742 . . . . 0.0 110.839 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -93.18 -65.26 1.01 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.89 58.97 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.78 -20.45 36.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 -109.37 168.4 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.716 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.9 m -118.92 128.81 54.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.179 0.925 . . . . 0.0 110.604 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.88 157.91 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.264 0.977 . . . . 0.0 111.043 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -108.93 89.69 3.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.342 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 29.1 mm -79.96 114.31 45.31 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.12 139.7 24.29 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.385 1.729 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.4 pp -137.76 146.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 O-C-N 124.372 1.045 . . . . 0.0 109.228 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.8 t -134.79 132.75 39.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.472 1.108 . . . . 0.0 108.219 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -118.88 102.02 8.48 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 124.535 1.147 . . . . 0.0 109.441 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -70.11 147.69 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.1 mt -131.42 171.73 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.71 178.4 7.66 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.535 1.147 . . . . 0.0 109.391 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.66 -31.39 19.79 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.406 1.066 . . . . 0.0 109.408 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 176.51 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.464 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 0.1 OUTLIER -121.97 160.6 46.5 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_endo -74.86 -55.44 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.176 -0.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -78.38 115.66 18.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.195 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 m-20 -51.28 -45.72 89.48 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.462 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.0 149.59 36.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.61 33.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 3.0 mp -104.35 140.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.1 m -92.7 149.71 21.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -160.86 156.89 25.74 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.72 1.262 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.0 m -123.02 99.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.841 1.338 . . . . 0.0 109.194 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -66.79 112.7 10.3 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.169 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 -177.06 3.22 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.299 1.684 . . . . 0.0 111.101 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -139.5 -173.81 3.71 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.696 1.247 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -81.73 -15.61 53.8 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.534 1.146 . . . . 0.0 109.785 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 -46.62 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.135 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.52 174.28 0.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.513 1.133 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -128.43 -41.89 1.52 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.532 1.145 . . . . 0.0 110.115 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 73.58 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -110.85 166.25 11.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.35 1.032 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.0 p -109.58 135.8 49.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.679 1.237 . . . . 0.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.74 -161.29 17.0 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 3.8 mttm -99.89 -17.28 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.331 0.665 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -109.88 -6.19 15.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.81 -41.44 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.519 1.137 . . . . 0.0 109.043 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.8 -169.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.355 1.034 . . . . 0.0 109.28 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.12 -18.64 14.85 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.205 0.941 . . . . 0.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -100.17 26.82 6.11 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 124.316 1.01 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 49.28 24.09 4.73 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.648 1.218 . . . . 0.0 111.007 179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 18.1 tttt -78.61 141.87 37.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 8.0 mm -89.42 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.45 ' CB ' ' O ' ' A' ' 101' ' ' LYS . 1.5 m-30 -98.06 44.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.063 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.9 mt -70.9 155.08 93.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.376 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.55 10.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.94 -57.93 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -35.86 79.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -64.96 -42.97 94.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.5 30.76 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.421 ' CD1' ' C ' ' A' ' 117' ' ' TRP . 3.8 t90 -81.7 117.09 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.33 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.05 161.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.65 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 1.32 15.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.018 0.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.69 41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.402 ' C ' ' CG ' ' A' ' 123' ' ' ASP . 63.1 p -93.34 114.0 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 122' ' ' SER . 0.0 OUTLIER 167.35 134.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.73 -21.03 65.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 4.9 mp -63.79 -54.4 35.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.69 -28.94 66.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.93 -74.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 2.8 mp -48.7 -23.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -59.63 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -47.23 -50.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.51 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 53.8 mtt -54.67 -52.99 60.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.46 -32.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -90.75 -62.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.471 ' N ' ' O ' ' A' ' 130' ' ' VAL . 3.8 t -41.23 -45.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.423 ' N ' ' O ' ' A' ' 131' ' ' MET . 19.9 m-85 -82.98 -32.74 26.87 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 124.504 1.128 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.82 -14.83 56.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.349 1.031 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -90.08 -43.61 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -169.96 160.6 6.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 117.01 4.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.566 1.824 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.24 0.38 9.08 Favored 'Trans proline' 0 C--N 1.356 0.962 0 O-C-N 124.528 1.804 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.33 122.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 143' ' ' SER . 66.2 t80 -178.31 175.41 1.19 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.713 1.258 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.507 ' N ' ' CD2' ' A' ' 142' ' ' PHE . 0.3 OUTLIER -82.77 53.77 2.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.811 1.32 . . . . 0.0 110.521 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.34 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.08 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.6 p -176.75 45.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.622 1.201 . . . . 0.0 109.126 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' LEU . 7.5 m -150.64 -44.69 0.12 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.086 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.96 -32.85 6.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.635 1.209 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -49.72 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.49 1.119 . . . . 0.0 109.818 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -42.97 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.932 1.395 . . . . 0.0 109.981 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 4' ' ' SER . 1.0 OUTLIER -57.2 -42.87 82.09 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.624 1.203 . . . . 0.0 109.297 -179.583 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' SER . 5.5 ttpt -54.13 -54.68 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.317 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -29.49 61.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.588 1.18 . . . . 0.0 109.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.83 61.08 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.148 0.905 . . . . 0.0 111.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 m -96.12 15.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 O-C-N 124.915 1.384 . . . . 0.0 109.44 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LYS . 29.3 t -77.2 -9.31 58.7 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.53 1.144 . . . . 0.0 109.879 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -89.18 -37.3 15.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.439 1.087 . . . . 0.0 108.998 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -38.19 123.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 111.135 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.35 -45.91 83.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 21' ' ' THR . 14.3 m-85 -97.46 32.51 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.711 1.257 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -44.91 18.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 1.175 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -80.31 -47.55 14.35 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 3.5 m -59.74 -54.13 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.93 -41.7 80.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -61.13 -51.63 68.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -62.2 -31.99 72.58 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.405 ' O ' ' C ' ' A' ' 26' ' ' VAL . 20.2 m -74.25 -57.92 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.472 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -40.14 -41.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 31' ' ' LEU . 33.5 t-20 -73.43 -53.86 9.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.352 1.033 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 20.3 t -45.77 -51.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 32' ' ' TYR . 2.4 pt -68.99 -53.44 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.1 m -47.68 -42.96 26.04 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.597 1.186 . . . . 0.0 110.643 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.5 OUTLIER -71.44 -38.81 71.33 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.505 ' CE2' ' CG2' ' A' ' 128' ' ' ILE . 58.4 m-85 -130.1 88.07 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -49.87 -37.92 33.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 124.517 1.136 . . . . 0.0 109.845 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.84 -47.64 42.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 109.229 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.25 127.96 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.382 1.051 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 5.4 mmtp -126.83 144.6 50.66 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.09 146.16 31.99 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.502 1.79 . . . . 0.0 110.938 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.6 t -136.02 168.42 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.148 0.905 . . . . 0.0 109.152 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -131.22 112.27 12.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.688 1.243 . . . . 0.0 109.231 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -124.41 108.69 12.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -94.66 123.6 38.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 125.017 1.448 . . . . 0.0 110.023 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -99.81 148.54 24.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.646 1.216 . . . . 0.0 110.786 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -110.49 131.97 60.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 124.349 1.031 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.477 ' O ' ' N ' ' A' ' 46' ' ' ASP . 9.9 m-85 -83.88 77.76 9.84 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 67.34 -68.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.55 1.156 . . . . 0.0 109.181 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.2 m-20 -174.5 35.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.141 0.9 . . . . 0.0 109.378 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -102.91 -24.04 8.31 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 124.587 1.179 . . . . 0.0 110.816 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 160.87 -178.53 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.516 0.774 . . . . 0.0 110.184 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 p -131.18 127.73 38.56 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.66 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -106.43 128.22 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.923 1.389 . . . . 0.0 109.956 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.88 103.05 6.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.82 1.325 . . . . 0.0 110.477 179.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -116.04 119.99 37.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.6 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 16.2 ptm -81.35 149.38 28.92 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.749 1.281 . . . . 0.0 111.017 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -134.47 141.66 46.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.4 mt -101.42 112.6 25.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -123.69 154.99 38.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.14 176.26 45.1 Favored Glycine 0 CA--C 1.532 1.132 0 O-C-N 124.419 1.075 . . . . 0.0 110.979 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -118.83 118.79 32.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 83.5 mt -89.83 142.5 29.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.699 1.25 . . . . 0.0 109.066 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.24 109.88 3.0 Favored 'Trans proline' 0 C--N 1.363 1.305 0 O-C-N 124.81 1.953 . . . . 0.0 111.027 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 13.0 t -114.78 93.25 32.95 Favored Pre-proline 0 N--CA 1.453 -0.298 0 O-C-N 124.647 1.217 . . . . 0.0 109.116 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.49 153.49 39.52 Favored 'Trans proline' 0 C--N 1.363 1.296 0 O-C-N 124.634 1.86 . . . . 0.0 110.874 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -155.61 113.31 3.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.21 35.85 18.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.353 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.95 2.25 84.13 Favored Glycine 0 CA--C 1.526 0.747 0 O-C-N 124.67 1.232 . . . . 0.0 111.148 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.9 m-20 -91.48 -178.34 5.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.073 0.513 . . . . 0.0 109.646 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.1 m -148.99 121.31 8.41 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.183 0.927 . . . . 0.0 110.439 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.69 161.45 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -117.17 84.91 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 4.3 mm -80.65 114.1 45.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 O-C-N 124.539 1.149 . . . . 0.0 109.395 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 151.92 40.14 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.509 1.794 . . . . 0.0 111.167 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.55 154.94 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.419 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.0 t -135.52 141.26 45.22 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.427 1.079 . . . . 0.0 108.256 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 140.66 47.52 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.988 1.43 . . . . 0.0 109.329 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 73.0 m95 -109.05 133.0 53.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -111.74 171.53 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.66 169.06 21.23 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 124.494 1.121 . . . . 0.0 109.447 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.96 -37.63 29.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 t -176.08 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -99.56 162.57 20.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.89 -55.96 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.129 -2.446 . . . . 0.0 110.987 -0.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.429 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 96.1 m-85 -71.94 -71.24 0.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.753 1.283 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.54 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER 160.08 -50.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 124.413 1.07 . . . . 0.0 109.372 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 151.08 39.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.04 167.58 26.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -104.19 155.02 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 87.3 m -95.74 142.46 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -154.69 176.12 12.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.78 160.18 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.663 1.227 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 92.22 4.21 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 125.072 1.482 . . . . 0.0 109.197 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.35 174.65 12.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 O-C-N 124.316 1.693 . . . . 0.0 110.763 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -174.59 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.388 1.055 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -30.79 19.71 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.491 1.119 . . . . 0.0 110.124 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -54.06 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.945 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -79.78 -174.9 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -125.3 -160.97 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.427 1.079 . . . . 0.0 110.18 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.458 ' N ' ' OG1' ' A' ' 96' ' ' THR . 4.7 tt -127.67 145.13 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -114.07 81.52 1.55 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 8.3 p -82.51 138.83 34.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.293 0.996 . . . . 0.0 110.348 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.25 -89.55 0.09 OUTLIER Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.484 1.115 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -43.54 -72.89 0.05 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.435 ' O ' ' CE1' ' A' ' 110' ' ' TYR . 0.5 OUTLIER -120.24 -39.95 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.805 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.2 t -55.75 116.76 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.371 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -168.62 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.87 61.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.72 1.262 . . . . 0.0 109.259 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -108.61 22.36 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.609 1.193 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 50.89 33.77 28.93 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -90.77 143.12 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 0.835 . . . . 0.0 109.435 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 33.6 mm -102.1 99.3 8.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.899 1.374 . . . . 0.0 109.271 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 28.6 p90 -109.05 39.83 1.96 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 mt -42.86 155.09 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.07 10.31 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -47.26 70.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.81 -42.27 75.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -40.39 95.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.601 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -102.54 34.48 2.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.662 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 2.8 t90 -80.88 118.73 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.8 OUTLIER -121.66 76.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER -41.41 162.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.471 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.3 Cg_endo -75.02 1.94 15.39 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.059 -2.475 . . . . 0.0 111.033 0.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.3 mp0 -32.65 -63.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -92.94 172.67 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -178.51 169.36 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.74 -36.47 72.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.31 -56.79 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.16 -33.93 88.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 15.2 mt -55.01 -56.57 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.786 . . . . 0.0 109.269 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.505 ' CG2' ' CE2' ' A' ' 32' ' ' TYR . 2.0 mp -68.49 -17.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -56.56 4.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . . . . . . . . . 1.8 p -51.14 -35.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 135' ' ' PHE . 5.7 mtt -66.33 -54.78 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -45.38 -32.27 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.372 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -87.34 -61.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 t -43.95 -48.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.441 ' N ' ' O ' ' A' ' 131' ' ' MET . 4.6 m-85 -74.31 -34.06 63.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.87 -19.54 63.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.279 0.987 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.7 -50.82 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.386 0.698 . . . . 0.0 109.338 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.36 114.09 10.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.407 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.13 113.59 3.82 Favored 'Trans proline' 0 C--N 1.356 0.948 0 O-C-N 124.411 1.743 . . . . 0.0 111.058 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.22 33.78 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.444 1.76 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 25.0 t -108.77 -15.54 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.95 -168.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -127.01 35.24 4.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.499 1.125 . . . . 0.0 110.21 179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 66.76 127.89 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.573 1.17 . . . . 0.0 110.483 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.83 -57.82 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 109.105 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.38 -161.7 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 124.634 1.209 . . . . 0.0 109.899 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -46.45 -24.53 0.52 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.02 -53.99 31.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.47 -39.74 91.99 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.637 1.211 . . . . 0.0 110.532 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 12' ' ' VAL . 6.9 mp -61.69 -48.17 81.98 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -48.99 -56.82 7.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -33.69 34.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.147 0.905 . . . . 0.0 109.796 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -75.96 -43.86 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.13 179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 8' ' ' LEU . 35.5 m -88.02 13.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.525 1.14 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 31.2 t -62.4 -25.33 67.88 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 124.619 1.199 . . . . 0.0 109.876 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -27.36 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.871 1.357 . . . . 0.0 109.415 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.613 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 1.1 m-85 -45.16 122.29 3.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -57.16 13.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.438 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 35.3 m-85 -92.1 39.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.661 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.45 -29.97 69.36 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.372 1.045 . . . . 0.0 110.092 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -78.16 -40.41 37.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.527 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -34.94 71.63 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -76.4 -55.26 5.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.496 ' CG2' ' O ' ' A' ' 18' ' ' ARG . 42.9 t -52.41 -38.23 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 124.458 1.099 . . . . 0.0 109.515 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -68.29 -49.19 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.8 -41.48 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 29' ' ' ILE . 3.0 m -61.12 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -42.07 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.667 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' LEU . 6.0 t-20 -64.95 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.353 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 69.1 t -39.56 -30.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' A' ' 25' ' ' THR . 5.4 mm -73.77 -53.97 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.3 m -66.0 -42.25 89.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' ASN . 1.4 tp -46.62 -31.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.282 0.989 . . . . 0.0 109.248 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ILE . 1.7 m-85 -124.72 -179.6 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -144.32 78.33 1.57 Allowed 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.563 1.165 . . . . 0.0 109.029 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t0 178.44 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.576 1.172 . . . . 0.0 109.217 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mp -63.99 127.76 32.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -116.39 130.41 24.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 124.649 1.218 . . . . 0.0 109.263 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.1 137.33 21.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.648 1.867 . . . . 0.0 111.099 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -123.71 168.93 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.124 0.89 . . . . 0.0 109.344 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -149.49 109.89 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -133.51 134.22 43.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -95.59 145.73 25.01 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.971 1.419 . . . . 0.0 109.861 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.49 133.06 56.39 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.648 1.217 . . . . 0.0 110.89 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.5 p -80.48 122.38 35.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 124.839 1.337 . . . . 0.0 109.123 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.2 m-85 -85.12 142.87 29.21 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.51 1.131 . . . . 0.0 111.429 179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.83 82.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.767 1.292 . . . . 0.0 109.308 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -177.11 -39.72 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.356 1.035 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.4 ' O ' ' OG ' ' A' ' 48' ' ' SER . . . 127.51 48.37 0.17 Allowed Glycine 0 CA--C 1.527 0.789 0 O-C-N 124.341 1.026 . . . . 0.0 111.475 -179.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.434 ' O ' ' N ' ' A' ' 44' ' ' PHE . 1.8 m -168.95 144.36 3.3 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 124.424 0.72 . . . . 0.0 110.078 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p -120.95 138.14 54.28 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 124.132 0.895 . . . . 0.0 109.951 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 139.32 46.24 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.98 122.32 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.828 1.33 . . . . 0.0 109.927 -179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' CD1' ' OH ' ' A' ' 15' ' ' TYR . 4.5 mm? -128.87 134.12 48.18 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -74.78 169.6 17.56 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.181 0.926 . . . . 0.0 110.95 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.602 ' OD1' ' CE3' ' A' ' 75' ' ' TRP . 14.8 m-80 -157.77 146.1 19.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.9 mt -122.86 107.42 11.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.598 1.186 . . . . 0.0 109.42 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -116.96 145.76 43.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.348 1.03 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 174.18 -170.18 43.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -132.16 137.24 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.334 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 5.3 mp -105.49 141.84 23.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.346 1.029 . . . . 0.0 109.442 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.59 123.23 7.93 Favored 'Trans proline' 0 C--N 1.358 1.041 0 O-C-N 124.277 1.672 . . . . 0.0 111.024 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.1 t -117.72 106.18 46.52 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.53 90.41 1.13 Allowed 'Trans proline' 0 C--N 1.365 1.404 0 O-C-N 124.73 1.911 . . . . 0.0 111.01 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.505 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 11.0 t80 -79.93 77.82 6.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.505 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 1.3 mmt85 84.56 -42.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -165.25 -35.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' O ' ' N ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -81.39 149.04 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.446 0.733 . . . . 0.0 109.565 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.7 m -102.05 125.63 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.36 1.038 . . . . 0.0 110.609 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -100.85 159.05 15.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 1.182 . . . . 0.0 110.948 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -114.38 80.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.221 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 12.1 mm -72.63 113.98 26.02 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.754 1.284 . . . . 0.0 109.342 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.437 ' O ' ' CG2' ' A' ' 72' ' ' ILE . 18.6 Cg_endo -75.01 142.14 27.46 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.433 1.754 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.437 ' CG2' ' O ' ' A' ' 71' ' ' PRO . 2.5 pp -154.92 159.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 38.5 t -144.74 152.56 40.56 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.475 1.109 . . . . 0.0 108.16 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.72 145.64 46.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.4 179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.602 ' CE3' ' OD1' ' A' ' 54' ' ' ASN . 47.6 m95 -111.78 129.74 56.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -84.85 168.84 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -152.69 158.98 43.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.613 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.9 m-20 -89.26 -33.95 16.79 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.617 1.198 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.2 t -161.73 -42.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.45 ' O ' ' CG ' ' A' ' 77' ' ' LEU . 0.7 OUTLIER -75.65 160.01 80.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.087 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -47.02 0.33 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.88 -2.55 . . . . 0.0 110.93 0.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.445 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 84.7 t80 -106.54 -35.73 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.593 ' OD1' ' CE2' ' A' ' 17' ' ' TYR . 0.3 OUTLIER 164.09 -51.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.04 152.95 41.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.51 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.2 Cg_endo -75.08 -175.68 2.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.09 149.88 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 95.1 m -122.75 129.16 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 1.5 p90 -158.99 147.78 18.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.1 m -75.43 165.32 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.384 1.052 . . . . 0.0 109.239 -179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 68.08 7.74 Favored Pre-proline 0 C--N 1.321 -0.635 0 O-C-N 124.612 1.195 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 178.24 7.47 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.828 1.962 . . . . 0.0 111.036 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.6 p -82.68 -169.7 2.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.932 1.395 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -44.34 16.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.02 -52.44 65.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.593 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.17 177.26 0.13 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.6 p -133.64 -165.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.351 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.59 114.72 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 124.401 1.063 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -91.77 93.03 8.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.542 1.152 . . . . 0.0 109.205 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 p -40.21 139.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.704 1.253 . . . . 0.0 110.411 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -140.95 -148.26 5.07 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.661 1.225 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -41.85 64.47 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.79 0.935 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -108.87 -50.12 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.4 m -55.4 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.65 1.219 . . . . 0.0 109.363 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.16 -173.02 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.682 1.239 . . . . 0.0 109.437 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.5 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.945 1.403 . . . . 0.0 109.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -78.13 -27.41 48.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 124.674 1.233 . . . . 0.0 109.419 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 114.58 -8.83 22.06 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.09 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.9 ttpt -55.11 129.93 40.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 15.1 pt -106.86 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.313 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 32.6 p90 -117.69 54.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 110' ' ' TYR . 1.2 mp -39.61 151.09 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -34.82 3.57 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -54.87 -51.74 64.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 117' ' ' TRP . 3.2 mm? -44.72 -59.39 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -47.8 -40.21 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.55 28.28 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.452 ' NE1' ' O ' ' A' ' 119' ' ' HIS . 6.5 t90 -115.49 130.16 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -167.12 40.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.4 m-70 171.9 162.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.622 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -8.69 23.85 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.005 0.011 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -155.61 47.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 p -43.49 125.34 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -175.05 -178.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mt -48.29 -45.25 34.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -46.56 -66.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.34 -39.35 64.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.3 mt -53.18 -62.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.257 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.91 -32.0 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -54.37 -57.04 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.403 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.3 OUTLIER -54.12 -40.71 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.604 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 15.3 mtt -66.34 -25.0 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.63 -33.99 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 134' ' ' VAL . 48.6 t -88.72 -60.07 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.403 ' N ' ' O ' ' A' ' 130' ' ' VAL . 4.0 t -39.96 -49.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 131' ' ' MET . 13.7 m-30 -80.08 -32.58 39.25 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 124.456 1.097 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.92 -14.57 52.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.345 1.028 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.44 -46.89 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.03 148.96 2.14 Favored Pre-proline 0 C--N 1.322 -0.597 0 O-C-N 124.831 1.332 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 113.28 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -13.94 21.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.548 1.815 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 2.6 t -63.48 -18.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.829 1.331 . . . . 0.0 109.184 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.09 -178.23 3.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.254 0.971 . . . . 0.0 111.373 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.4 t -109.05 72.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.317 1.011 . . . . 0.0 110.075 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.31 113.7 11.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.187 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.219 0 O-C-N 124.116 1.587 . . . . 0.0 110.845 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 42.6 t -142.53 61.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 O-C-N 124.285 0.99 . . . . 0.0 109.437 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.72 165.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -53.49 -37.36 62.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.409 179.728 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -49.05 -39.81 28.84 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 124.396 1.06 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -77.74 -50.64 11.98 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.551 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.6 tp -59.0 -19.48 43.95 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.817 1.323 . . . . 0.0 109.463 179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' GLU . 1.2 tttt -81.1 -48.46 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.559 1.162 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -23.21 67.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.764 1.29 . . . . 0.0 109.217 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -42.99 18.21 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.079 0.862 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 m -98.77 17.66 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.332 1.02 . . . . 0.0 109.53 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.27 -7.18 45.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.509 -179.777 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -37.69 11.45 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 125.087 1.492 . . . . 0.0 108.853 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -47.56 123.26 5.58 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 124.62 1.2 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -56.72 -64.11 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.116 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -85.26 43.42 1.01 Allowed 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.998 1.436 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' VAL . 28.4 ptt180 -62.55 -39.8 94.79 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.456 1.098 . . . . 0.0 110.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -56.35 -37.21 69.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.331 1.02 . . . . 0.0 109.421 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -76.72 -41.08 46.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 7.1 m -65.01 -45.26 86.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 18' ' ' ARG . 6.0 t -62.84 -37.65 79.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.58 1.175 . . . . 0.0 109.486 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -74.67 -46.01 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.4 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.8 OUTLIER -67.2 -38.11 84.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 124.748 1.28 . . . . 0.0 110.384 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' THR . 5.0 m -64.38 -37.95 89.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.41 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -42.42 90.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.563 1.164 . . . . 0.0 109.174 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.466 ' O ' ' N ' ' A' ' 31' ' ' LEU . 36.2 t-20 -69.6 -53.85 16.83 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.404 ' C ' ' O ' ' A' ' 27' ' ' ASN . 35.6 t -40.78 -61.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' TYR . 1.9 pt -61.01 -56.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.196 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -42.8 -46.5 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.137 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.466 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.3 OUTLIER -66.43 -45.84 78.52 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.496 ' CZ ' ' CD1' ' A' ' 132' ' ' ILE . 61.4 m-85 -128.03 114.31 16.92 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.603 1.189 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.78 61.24 6.34 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.606 1.191 . . . . 0.0 108.952 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.458 ' OD1' ' N ' ' A' ' 35' ' ' LEU . 21.4 p-10 -132.38 -51.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.682 1.239 . . . . 0.0 109.398 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.458 ' N ' ' OD1' ' A' ' 34' ' ' ASP . 3.4 mm? -67.62 117.33 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.643 1.214 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.78 136.64 21.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -74.6 134.49 18.61 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.526 1.803 . . . . 0.0 111.336 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.75 159.35 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.32 105.86 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.599 1.187 . . . . 0.0 109.088 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' LEU . 19.5 t0 -129.67 127.83 41.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.8 p -102.02 149.29 24.39 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.725 1.265 . . . . 0.0 110.142 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -126.16 143.23 51.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.423 1.077 . . . . 0.0 110.911 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -96.81 145.24 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 O-C-N 124.831 1.332 . . . . 0.0 109.06 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' ASP . 5.8 m-85 -89.19 31.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.185 . . . . 0.0 111.284 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.9 m120 37.47 31.58 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.431 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' PHE . 16.3 t0 170.51 -54.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.104 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 -84.2 0.04 OUTLIER Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.568 1.168 . . . . 0.0 111.162 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.3 t 178.8 173.89 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.301 0.648 . . . . 0.0 109.766 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p -89.49 100.62 13.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.178 . . . . 0.0 109.833 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.83 134.73 37.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.374 1.046 . . . . 0.0 110.449 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -80.33 114.22 19.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.846 1.341 . . . . 0.0 110.122 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 40' ' ' ASP . 4.5 mm? -120.84 138.23 54.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.366 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 ttm -82.06 133.76 35.3 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -123.52 130.9 53.37 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 124.356 1.035 . . . . 0.0 109.271 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.3 mt -105.39 109.45 21.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.429 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -116.47 140.21 49.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.7 1.25 . . . . 0.0 110.444 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.23 -170.73 32.44 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -131.01 117.9 19.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 0.823 . . . . 0.0 110.187 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 95.3 mt -93.74 142.04 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.446 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.61 123.63 8.23 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.441 1.758 . . . . 0.0 111.203 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 135' ' ' PHE . 2.8 t -119.59 97.82 49.97 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.83 94.97 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.3 t80 -96.54 90.8 5.49 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER 88.05 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.415 1.072 . . . . 0.0 110.274 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.34 -28.28 0.2 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.412 1.07 . . . . 0.0 111.104 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 63' ' ' TYR . 1.7 p30 -75.59 148.49 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.824 . . . . 0.0 109.13 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.6 m -99.05 124.66 44.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.296 0.997 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.94 157.73 17.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.102 . . . . 0.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -114.82 75.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.327 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.4 mm -73.86 114.13 29.66 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.1 17.45 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.543 1.812 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -130.75 151.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.054 -179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.9 t -133.97 135.13 43.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 108.169 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -123.83 125.64 45.03 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.342 1.026 . . . . 0.0 109.325 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -96.87 123.88 40.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.37 174.13 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -148.69 174.78 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.573 ' OD2' ' CE2' ' A' ' 80' ' ' TYR . 13.1 p-10 -92.44 -38.11 12.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 8.9 t -176.76 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' OD2' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -101.06 162.29 21.02 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -74.64 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.227 -2.406 . . . . 0.0 111.074 -0.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.423 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 72.1 m-85 -71.99 -69.99 0.36 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.551 ' O ' ' CD2' ' A' ' 77' ' ' LEU . 0.7 OUTLIER 160.29 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 154.76 42.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 166.01 30.16 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.3 mp -104.4 127.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 75.3 m -76.37 141.87 41.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.38 161.43 41.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 124.597 1.186 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 m -112.32 149.18 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.369 1.043 . . . . 0.0 109.228 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -122.41 77.85 45.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 170.84 19.52 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.596 1.84 . . . . 0.0 110.961 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.6 p -116.01 -174.91 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.356 1.035 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.45 1.094 . . . . 0.0 109.871 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -51.76 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 176.71 1.26 Allowed 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.552 1.157 . . . . 0.0 111.227 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.497 ' CG2' ' C ' ' A' ' 142' ' ' PHE . 12.6 t -151.88 -155.82 0.65 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.526 1.141 . . . . 0.0 110.503 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.419 ' N ' ' OG1' ' A' ' 96' ' ' THR . 19.8 mt -138.95 130.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 108.975 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -95.3 80.72 3.56 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.7 p -39.02 135.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.203 0.94 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.72 -135.96 1.93 Allowed Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.701 1.251 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -71.03 0.54 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 124.969 1.041 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 10.8 p-80 -79.97 -23.55 41.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -87.16 81.24 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.639 1.212 . . . . 0.0 109.377 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.33 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.58 -45.5 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -75.55 -12.25 60.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.559 1.162 . . . . 0.0 109.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 96.47 22.08 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.095 . . . . 0.0 110.918 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.4 tttt -76.13 104.9 6.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 21.6 mm -60.79 93.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.232 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.94 84.52 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 28.4 mt -92.49 112.79 57.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.3 19.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.05 -39.08 72.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.4 pp -91.13 -5.77 54.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -77.22 -42.06 38.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -99.98 23.92 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.527 ' O ' ' C ' ' A' ' 118' ' ' LYS . 6.4 t90 -129.49 -70.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.581 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER 30.8 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.581 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 59.8 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 122' ' ' SER . 18.3 Cg_endo -75.02 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.913 0.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.28 -42.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.486 ' CB ' ' CE2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -83.32 157.72 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.1 OUTLIER -179.49 174.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.9 -46.82 2.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.437 1.086 . . . . 0.0 109.193 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.5 mp -62.7 -53.52 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.19 -35.02 68.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 123' ' ' ASP . 35.9 mt -54.54 -72.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.3 mp -49.97 -23.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.15 -58.38 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 134' ' ' VAL . 0.5 OUTLIER -50.04 -43.93 21.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.422 ' O ' ' N ' ' A' ' 135' ' ' PHE . 48.6 mtt -62.16 -52.27 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.496 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 mt -45.39 -32.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' VAL . 96.9 t -92.05 -63.41 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.487 ' N ' ' O ' ' A' ' 130' ' ' VAL . 6.2 t -40.05 -43.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.442 ' O ' ' CG2' ' A' ' 61' ' ' VAL . 7.9 m-85 -88.4 -30.52 19.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.3 -23.66 66.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.98 -51.13 6.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.767 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.77 152.97 21.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.289 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . 0.419 ' CD ' ' CE1' ' A' ' 63' ' ' TYR . 17.8 Cg_endo -75.34 122.57 7.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.65 1.868 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.7 -20.0 18.06 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.49 1.784 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.1 m -91.61 124.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.901 1.376 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.497 ' C ' ' CG2' ' A' ' 96' ' ' THR . 7.6 t80 -176.97 177.01 1.34 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.69 48.81 1.03 Allowed 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.356 1.035 . . . . 0.0 109.942 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 4.5 ttm-85 -156.0 87.61 3.0 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.674 1.234 . . . . 0.0 110.059 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 O-C-N 124.695 1.892 . . . . 0.0 111.034 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.458 ' O ' ' CG1' ' A' ' 3' ' ' VAL . 8.0 p -73.17 75.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.742 1.276 . . . . 0.0 109.232 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -20.38 13.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.45 1.094 . . . . 0.0 110.011 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.77 -50.59 68.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.158 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -60.72 -43.48 97.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.276 0.985 . . . . 0.0 110.279 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -48.02 80.82 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -48.61 -50.41 32.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.275 0.984 . . . . 0.0 109.292 179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.4 tttp -51.24 -47.19 62.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -58.42 -23.43 57.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 11.2 tmm? -87.96 -42.01 12.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.177 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.1 m -69.74 -7.8 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.243 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -65.6 -15.28 62.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.715 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.21 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.471 ' CD1' ' OD2' ' A' ' 78' ' ' ASP . 1.5 m-85 -48.19 119.52 3.0 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.337 1.023 . . . . 0.0 111.044 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -47.12 23.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' CZ ' ' OG1' ' A' ' 79' ' ' THR . 10.2 m-85 -90.63 40.23 1.01 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.634 1.209 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.254 0.971 . . . . 0.0 110.085 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.95 -50.53 70.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.54 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -58.41 -52.84 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.235 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 17' ' ' TYR . 8.8 m -57.34 -54.49 46.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.455 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 44.4 t -55.49 -43.62 72.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.594 1.184 . . . . 0.0 109.143 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -65.61 -48.83 70.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -40.22 96.73 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.734 1.271 . . . . 0.0 110.288 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 21' ' ' THR . 17.0 m -62.82 -59.16 5.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.339 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -42.68 -44.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.839 1.337 . . . . 0.0 109.121 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.458 ' O ' ' N ' ' A' ' 31' ' ' LEU . 10.7 t-20 -69.93 -55.63 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.7 1.25 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.6 t -41.65 -57.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.284 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -63.82 -56.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 109.19 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -43.27 -45.32 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.4 OUTLIER -74.53 -45.54 45.06 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 124.703 1.252 . . . . 0.0 109.152 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -124.41 91.55 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -59.83 -47.34 86.12 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.63 1.206 . . . . 0.0 108.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -36.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.333 1.021 . . . . 0.0 109.08 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.68 131.03 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.044 . . . . 0.0 109.3 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.0 129.77 24.44 Favored Pre-proline 0 N--CA 1.449 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.614 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -74.39 136.77 22.24 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 O-C-N 124.216 1.64 . . . . 0.0 111.566 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.97 154.46 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.09 0.869 . . . . 0.0 109.224 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.513 ' C ' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -130.1 115.99 17.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.138 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -137.47 133.54 34.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.737 1.273 . . . . 0.0 109.372 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.4 p -82.36 123.65 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.76 1.287 . . . . 0.0 110.085 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -100.53 144.54 29.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.539 1.149 . . . . 0.0 111.204 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.09 148.0 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 O-C-N 124.374 1.046 . . . . 0.0 109.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.47 68.13 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.349 1.031 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.6 t30 56.36 37.54 28.92 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.425 1.078 . . . . 0.0 109.136 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER 75.74 23.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.169 0.918 . . . . 0.0 109.184 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -98.25 -11.18 49.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.177 0.923 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 164.34 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 0.713 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.2 p -150.17 120.22 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.769 1.293 . . . . 0.0 109.754 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.76 149.42 50.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.552 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.04 116.33 22.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.616 1.197 . . . . 0.0 110.468 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -126.95 134.96 50.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.85 1.344 . . . . 0.0 109.58 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.8 ppp? -80.28 137.3 36.6 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 124.027 0.829 . . . . 0.0 110.973 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -125.22 121.07 33.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -91.91 116.61 29.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 54.7 m -121.16 148.22 44.51 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -175.66 47.77 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 p -133.24 122.88 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 0.827 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 35.1 mt -89.25 115.79 64.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.095 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.44 94.76 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.667 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 5.0 m -111.34 146.46 34.64 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.745 1.278 . . . . 0.0 109.072 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.61 123.94 8.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.609 1.847 . . . . 0.0 111.163 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.663 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 16.0 t80 -93.55 -49.69 5.77 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.361 1.038 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.417 ' O ' ' NE ' ' A' ' 64' ' ' ARG . 0.4 OUTLIER -163.1 72.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 -15.14 33.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -117.25 177.81 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 0.0 109.206 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -104.14 132.67 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.663 ' CE1' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -109.43 156.93 19.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -111.26 100.13 8.82 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.346 1.029 . . . . 0.0 109.252 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 8.9 mm -92.63 112.34 55.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.269 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 114.71 4.08 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.33 1.7 . . . . 0.0 110.741 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.5 pp -124.36 140.58 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.416 1.073 . . . . 0.0 109.421 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 50.4 t -149.99 138.85 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.227 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' CD2' ' C ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -140.36 159.59 41.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 124.331 1.019 . . . . 0.0 109.386 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 50.9 m95 -115.79 144.45 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.3 mp -110.7 -177.92 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.513 ' CD1' ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -142.3 -172.81 3.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 79' ' ' THR . 1.2 m-20 -109.94 -23.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.52 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER 167.17 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.102 . . . . 0.0 110.419 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -149.77 164.62 20.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.583 1.177 . . . . 0.0 110.92 179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.88 -58.38 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.947 -0.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -71.29 98.15 1.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.84 1.337 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.62 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 8.3 t-20 -50.38 -45.72 83.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.149 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.91 142.66 28.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -75.09 163.99 34.07 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 104.25 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.34 133.8 33.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 108.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -159.43 147.64 17.6 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.618 1.199 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.2 m -91.27 123.13 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.31 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -66.29 117.87 47.68 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.31 1.006 . . . . 0.0 109.184 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.17 168.24 25.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.21 1.637 . . . . 0.0 111.084 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.2 p -151.61 177.99 9.78 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 124.95 1.406 . . . . 0.0 110.43 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -80.88 -42.28 21.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.968 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -58.87 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.96 166.34 23.45 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.392 1.058 . . . . 0.0 110.69 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER -113.1 -15.81 12.73 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.491 1.119 . . . . 0.0 110.496 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 0.1 OUTLIER 58.27 111.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.091 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.24 156.26 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.0 p -89.39 158.17 17.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.333 1.02 . . . . 0.0 110.558 179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.407 ' N ' ' CG2' ' A' ' 103' ' ' VAL . . . -156.97 -151.68 6.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.681 1.238 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -32.8 63.52 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.339 0.67 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -118.35 -44.96 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.554 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 6.4 m -60.03 101.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 109.083 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.8 -172.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.514 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.64 63.54 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.814 1.321 . . . . 0.0 109.463 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -95.89 -23.71 16.76 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.627 1.204 . . . . 0.0 109.195 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 115.4 -12.83 18.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.641 1.213 . . . . 0.0 111.07 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -52.92 113.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.68 0.871 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.49 107.16 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.143 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -103.62 42.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 4.0 mt -44.18 157.21 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.87 20.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.33 -52.53 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.03 -39.04 93.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -58.58 -51.58 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.99 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.472 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 5.5 t90 -80.81 99.57 8.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.599 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -130.22 5.74 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.599 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.11 164.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.492 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.4 Cg_endo -75.07 -30.81 5.74 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.03 -0.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.492 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -29.98 -61.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.472 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 4.8 m -80.84 162.26 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 177.77 169.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.72 -39.56 91.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' GLN . 6.8 mp -59.63 -57.97 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.78 -34.45 70.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.18 -41.48 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -37.56 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 125' ' ' LEU . 1.4 tt0 -58.91 -54.99 40.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.207 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 1.0 OUTLIER -44.99 -47.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 24.7 mtt -57.0 -51.0 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.5 tt -45.47 -32.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 53.0 t -92.26 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 130' ' ' VAL . 3.1 t -42.49 -42.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 131' ' ' MET . 8.2 m-85 -90.07 -29.16 18.54 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.442 1.089 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.27 72.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.393 1.058 . . . . 0.0 111.007 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -26.59 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.73 119.48 0.2 Allowed Pre-proline 0 N--CA 1.45 -0.458 0 O-C-N 124.295 0.997 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.73 146.32 33.71 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.707 1.898 . . . . 0.0 111.003 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.93 -30.11 7.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.9 m -74.72 125.33 34.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 125.123 1.514 . . . . 0.0 109.22 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -135.93 166.04 24.26 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.844 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.574 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 1.1 t 179.62 38.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.888 1.367 . . . . 0.0 110.227 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.8 ttm105 -115.83 89.26 23.35 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 124.7 1.25 . . . . 0.0 110.409 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.674 1.881 . . . . 0.0 110.986 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.47 ' O ' ' N ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 4' ' ' SER . 41.3 t 70.27 -58.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.634 1.209 . . . . 0.0 108.918 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.47 ' N ' ' O ' ' A' ' 2' ' ' ALA . 0.8 OUTLIER 81.78 139.92 0.07 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.188 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.37 -37.27 67.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 124.895 1.372 . . . . 0.0 110.391 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -41.72 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.689 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 11' ' ' MET . 3.4 tt0 -74.07 -51.23 16.42 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 124.636 1.21 . . . . 0.0 110.188 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -38.14 17.67 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.654 1.221 . . . . 0.0 109.098 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -65.14 -58.5 5.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.8 -20.53 61.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 124.396 1.06 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -76.92 -43.08 36.85 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.742 1.276 . . . . 0.0 111.087 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -106.83 19.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 124.718 1.261 . . . . 0.0 109.349 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.5 m -75.2 -19.57 59.74 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.637 1.211 . . . . 0.0 109.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -82.23 -39.95 22.32 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 124.949 1.406 . . . . 0.0 109.459 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' OH ' ' N ' ' A' ' 53' ' ' MET . 5.2 m-85 -40.71 132.39 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -50.21 51.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.05 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 21' ' ' THR . 19.7 m-85 -94.49 38.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.852 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' VAL . 2.5 ttt180 -51.27 -63.3 1.17 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.379 1.05 . . . . 0.0 110.036 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.01 -33.79 8.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -49.26 27.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.395 1.06 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.6 m -63.69 -54.98 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.456 ' N ' ' O ' ' A' ' 18' ' ' ARG . 51.4 t -51.79 -45.38 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -55.71 -53.46 56.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' O ' ' N ' ' A' ' 28' ' ' VAL . 1.2 mp0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.869 1.356 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 21' ' ' THR . 18.5 m -67.86 -52.13 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.485 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -57.59 -36.26 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.478 ' O ' ' N ' ' A' ' 31' ' ' LEU . 57.1 t-20 -76.18 -51.99 11.0 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.686 1.241 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 24' ' ' GLU . 2.3 t -48.24 -43.58 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.425 ' O ' ' O ' ' A' ' 32' ' ' TYR . 3.5 pt -76.67 -53.29 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.221 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.6 m -49.5 -40.8 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.47 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.478 ' N ' ' O ' ' A' ' 27' ' ' ASN . 5.5 tt -64.2 -40.31 95.81 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.78 1.3 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.425 ' O ' ' O ' ' A' ' 29' ' ' ILE . 0.1 OUTLIER -98.25 -172.11 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -146.75 55.34 1.12 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.646 1.216 . . . . 0.0 109.462 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -172.81 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.249 0.968 . . . . 0.0 109.47 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' CD2' ' CD2' ' A' ' 32' ' ' TYR . 3.6 mm? -62.44 117.64 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.49 145.09 39.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.83 138.67 23.78 Favored 'Trans proline' 0 C--N 1.363 1.31 0 O-C-N 124.34 1.705 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.4 t -137.82 164.4 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -129.82 128.89 43.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 0.0 109.219 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.29 121.52 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.697 1.248 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.26 148.41 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 110.277 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -118.37 125.64 50.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -64.91 148.85 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 O-C-N 124.292 0.995 . . . . 0.0 109.257 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -124.76 143.18 50.93 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.69 1.244 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.25 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 108.819 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -176.6 40.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.246 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.8 -48.57 0.11 Allowed Glycine 0 CA--C 1.533 1.193 0 O-C-N 124.435 1.084 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 33.4 t -56.06 177.24 0.06 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.592 0.819 . . . . 0.0 109.498 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -179.37 149.72 0.41 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.817 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.36 133.28 38.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.844 1.34 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -86.45 120.02 27.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 110.744 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -129.48 125.17 35.77 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.189 0.931 . . . . 0.0 109.427 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.444 ' N ' ' OH ' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -66.32 148.07 52.39 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 125.063 1.477 . . . . 0.0 111.036 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -141.47 137.21 31.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 mt -96.62 113.27 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.453 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -119.66 130.16 54.92 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.942 1.402 . . . . 0.0 110.187 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.424 ' O ' ' CD1' ' A' ' 72' ' ' ILE . . . 178.31 175.44 45.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.4 p -120.38 159.26 25.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.61 145.91 57.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.216 . . . . 0.0 109.027 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.57 119.49 5.76 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.363 1.717 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.74 113.53 33.16 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 124.486 1.116 . . . . 0.0 109.453 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.04 108.95 2.84 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.645 1.866 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 t80 -104.65 78.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 85.62 -15.75 0.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.67 -25.32 0.74 Allowed Glycine 0 CA--C 1.527 0.783 0 O-C-N 124.493 1.121 . . . . 0.0 111.172 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -81.02 153.38 27.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.34 0.671 . . . . 0.0 109.356 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.8 m -103.26 125.07 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.72 158.25 18.29 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.674 1.234 . . . . 0.0 110.97 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -112.6 76.14 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.394 1.059 . . . . 0.0 109.354 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.4 mm -66.42 112.99 10.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.71 24.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.424 ' CD1' ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -143.56 141.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.349 1.031 . . . . 0.0 109.429 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.4 t -126.75 145.66 50.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 108.4 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.0 156.71 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.639 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 69.6 m95 -122.24 134.09 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -103.96 167.67 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -147.24 169.86 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.159 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.53 -36.94 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -166.66 -42.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -92.18 166.02 18.43 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.55 1.156 . . . . 0.0 111.167 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -43.64 0.66 Allowed 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.799 -0.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.443 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 30.0 m-85 -92.27 -63.28 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.59 1.181 . . . . 0.0 111.075 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.52 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.3 OUTLIER 164.39 -51.49 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.285 0.99 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 151.43 39.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.461 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.99 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.34 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 59.7 m -116.33 129.73 56.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 4.3 p90 -151.55 141.71 22.26 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.6 m -67.68 176.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.371 1.044 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tptm -139.76 135.73 16.91 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.61 1.194 . . . . 0.0 109.194 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.23 164.31 33.18 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.597 1.84 . . . . 0.0 111.057 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -116.86 -151.93 0.49 Allowed 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.94 -56.09 2.3 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.854 1.346 . . . . 0.0 110.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -42.98 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.688 1.242 . . . . 0.0 109.953 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.57 171.29 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.448 ' CG2' ' O ' ' A' ' 142' ' ' PHE . 13.2 t -119.89 -160.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.569 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.511 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 2.2 tt -135.4 61.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.272 0.983 . . . . 0.0 109.29 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . 0.405 ' C ' ' O ' ' A' ' 97' ' ' ILE . 0.4 OUTLIER -39.72 135.5 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.168 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.2 p -102.49 147.6 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.799 1.312 . . . . 0.0 110.494 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.27 -118.12 0.75 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.711 1.257 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -70.17 0.74 Allowed 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 124.413 0.714 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.617 ' CE1' ' CG2' ' A' ' 103' ' ' VAL . 11.1 p-80 -73.27 -30.63 63.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.617 ' CG2' ' CE1' ' A' ' 102' ' ' HIS . 59.8 t -84.92 78.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.407 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.876 1.36 . . . . 0.0 109.415 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -71.73 -34.4 69.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 109.124 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -89.17 14.84 9.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 124.509 1.13 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 60.46 20.77 56.22 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 124.652 1.22 . . . . 0.0 110.968 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -73.6 133.76 43.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.779 0.929 . . . . 0.0 109.309 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.1 mm -70.75 95.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.78 31.95 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.83 156.29 0.36 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -46.03 -55.23 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.03 -54.64 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -51.36 -52.63 43.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.631 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.53 26.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.511 ' CZ2' ' N ' ' A' ' 122' ' ' SER . 11.9 t90 -131.74 130.23 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.615 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -153.4 74.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.615 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 61.1 170.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.596 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.538 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.8 Cg_endo -74.92 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.075 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.538 ' C ' ' O ' ' A' ' 120' ' ' PRO . 3.5 mt-30 -26.67 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.511 ' N ' ' CZ2' ' A' ' 117' ' ' TRP . 51.6 p -42.96 130.83 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.2 m-20 -178.92 170.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -56.8 -63.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -49.62 -52.45 30.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.37 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.76 -28.58 68.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 123' ' ' ASP . 4.8 mt -71.11 -37.52 72.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 15.5 mm -75.61 -18.25 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -54.24 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.8 OUTLIER -55.06 -48.23 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.468 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 8.5 mtt -60.3 -40.92 92.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 7.2 mt -58.32 -31.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.49 -60.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 130' ' ' VAL . 3.4 t -42.74 -47.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -83.96 -28.56 27.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 111.085 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.34 76.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.338 1.023 . . . . 0.0 110.985 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -43.82 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -177.96 138.53 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.565 0 O-C-N 124.351 1.032 . . . . 0.0 110.364 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -74.55 151.6 42.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.22 -32.04 5.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.381 1.727 . . . . 0.0 111.06 179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 24.9 m -74.48 123.24 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 O-C-N 124.537 1.148 . . . . 0.0 109.235 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.584 ' CG ' ' N ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -128.46 167.97 16.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.288 0.993 . . . . 0.0 110.874 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.1 p 175.11 50.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.694 1.246 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.79 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.172 . . . . 0.0 110.256 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.358 1.055 0 O-C-N 124.587 1.835 . . . . 0.0 110.944 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 4' ' ' SER . 3.4 p -175.76 -50.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.388 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 1.9 t 82.54 142.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.336 1.022 . . . . 0.0 110.274 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.61 -44.59 62.92 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.888 1.367 . . . . 0.0 110.458 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -52.06 -52.75 49.01 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.51 1.131 . . . . 0.0 109.926 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -48.86 55.42 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.55 1.156 . . . . 0.0 110.509 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 12' ' ' VAL . 20.3 tp -49.3 -51.39 34.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.74 1.275 . . . . 0.0 109.045 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' SER . 6.5 ttpt -54.3 -45.92 72.65 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.521 1.138 . . . . 0.0 109.155 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -21.8 64.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.955 1.41 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -37.05 13.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.655 1.222 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 17.4 m -99.57 19.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.458 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.831 1.332 . . . . 0.0 109.793 -179.845 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -100.61 -19.45 16.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.867 1.354 . . . . 0.0 109.043 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -61.11 133.6 56.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 111.225 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.67 -37.38 73.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 25.4 m-85 -104.22 25.7 9.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' VAL . 8.4 tmm_? -42.08 -66.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.777 1.298 . . . . 0.0 110.475 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.6 -31.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -78.12 -50.5 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' TYR . 4.8 m -60.42 -48.03 83.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.451 ' N ' ' O ' ' A' ' 18' ' ' ARG . 3.6 t -56.69 -44.67 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.99 -52.34 63.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.503 ' O ' ' CG2' ' A' ' 28' ' ' VAL . 0.6 OUTLIER -62.14 -37.31 84.69 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.363 1.039 . . . . 0.0 110.377 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 m -70.01 -37.34 75.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.424 ' N ' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -68.58 -40.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.347 1.029 . . . . 0.0 109.181 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.452 ' O ' ' N ' ' A' ' 31' ' ' LEU . 3.0 t-20 -72.75 -48.78 35.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.375 1.047 . . . . 0.0 109.255 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.503 ' CG2' ' O ' ' A' ' 24' ' ' GLU . 24.3 t -47.21 -55.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.77 1.294 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.402 ' O ' ' C ' ' A' ' 32' ' ' TYR . 2.5 pt -65.43 -52.57 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -47.33 -42.82 22.12 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.755 1.285 . . . . 0.0 110.438 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.8 OUTLIER -70.69 -40.41 72.92 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.564 1.165 . . . . 0.0 109.353 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.426 ' OH ' ' CD1' ' A' ' 132' ' ' ILE . 11.4 m-85 -129.07 109.13 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 111.25 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -83.0 58.27 4.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.81 -48.01 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.236 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.5 125.9 27.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 124.633 1.208 . . . . 0.0 109.262 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 144.46 29.93 Favored Pre-proline 0 N--CA 1.447 -0.594 0 O-C-N 124.529 1.143 . . . . 0.0 109.763 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.69 141.85 28.15 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 O-C-N 124.302 1.685 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.7 168.12 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.728 1.267 . . . . 0.0 109.272 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -140.63 120.94 13.95 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.316 1.01 . . . . 0.0 109.31 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.72 115.47 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.943 1.402 . . . . 0.0 109.674 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.6 p -85.56 129.38 34.83 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 124.722 1.264 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -108.6 123.94 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.78 167.13 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.412 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -114.79 72.2 0.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.545 1.153 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 4.8 m120 53.93 25.48 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.48 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 6.6 t0 83.95 26.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.073 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.15 -17.29 16.34 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.422 1.076 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.5 p 177.77 178.67 0.32 Allowed 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -134.98 105.5 6.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.776 1.297 . . . . 0.0 109.992 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.0 ttp180 -99.78 144.39 28.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.072 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -95.79 118.35 32.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.306 1.004 . . . . 0.0 110.301 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.62 135.43 53.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.421 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -99.79 138.76 36.43 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 124.799 1.312 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -123.89 146.1 48.66 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mt -107.04 115.41 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.456 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.3 m -118.14 139.3 51.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -176.99 172.22 45.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.1 p -123.93 133.85 53.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.165 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.8 pt -106.89 141.37 22.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -74.78 98.56 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.374 1.723 . . . . 0.0 111.107 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.67 126.44 28.11 Favored Pre-proline 0 C--N 1.32 -0.714 0 O-C-N 124.313 1.008 . . . . 0.0 109.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.74 147.75 35.58 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.437 1.757 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -105.14 -55.33 2.34 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 124.769 1.293 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 32.65 0.18 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.415 1.072 . . . . 0.0 110.293 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 132.26 -22.61 4.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -107.59 158.08 17.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.388 0.699 . . . . 0.0 109.29 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -99.21 132.12 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.359 1.037 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -115.34 169.53 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 110.924 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -116.65 93.33 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.645 1.215 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 9.4 mm -82.41 114.44 51.45 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.384 1.052 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 128.5 11.59 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.914 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.29 146.88 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.1 t -125.01 143.78 50.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.564 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mt -130.9 136.95 49.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.352 1.032 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 51.0 m95 -111.31 139.44 46.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.08 166.87 13.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.34 176.51 8.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.473 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.99 -32.21 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.815 1.322 . . . . 0.0 109.429 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 174.1 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -119.36 159.95 43.52 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 124.433 1.083 . . . . 0.0 111.038 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -75.19 -52.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.885 0.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -80.11 115.64 19.79 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.496 1.122 . . . . 0.0 110.932 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.5 m120 -52.83 -45.09 97.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -74.97 155.97 43.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.452 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -74.99 158.38 42.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.422 1.748 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mt -96.21 125.01 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 94.3 m -66.28 148.72 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -160.94 159.37 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.528 1.142 . . . . 0.0 111.057 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.404 ' CG2' ' O ' ' A' ' 107' ' ' GLY . 34.1 m -123.63 154.86 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 O-C-N 124.561 1.163 . . . . 0.0 109.386 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.72 64.08 61.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.34 1.025 . . . . 0.0 109.383 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -176.2 2.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.596 1.84 . . . . 0.0 110.975 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.1 p -105.9 -175.2 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.801 1.313 . . . . 0.0 110.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -22.25 22.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.41 -7.48 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 142' ' ' PHE . 58.6 ttm -92.52 -32.95 14.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 124.778 1.299 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.1 m 66.86 172.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.237 179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -138.21 105.04 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.709 1.256 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -72.72 86.49 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.149 -179.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 6.0 p -44.11 138.95 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.447 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.91 -150.21 5.41 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 125.013 1.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -70.33 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.436 ' O ' ' N ' ' A' ' 104' ' ' ASP . 9.9 p80 -76.75 -51.28 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.7 t -55.08 90.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.345 1.028 . . . . 0.0 109.207 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' HIS . 2.7 t0 -65.37 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.468 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.32 -15.88 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.217 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -110.67 5.55 21.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.359 1.037 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . 0.404 ' O ' ' CG2' ' A' ' 89' ' ' VAL . . . 71.42 41.1 59.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.632 1.208 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 109' ' ' ILE . 1.4 tttp -104.77 57.95 0.7 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.425 0.721 . . . . 0.0 109.158 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.535 ' N ' ' CD1' ' A' ' 109' ' ' ILE . 0.1 OUTLIER -39.61 106.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 O-C-N 124.297 0.998 . . . . 0.0 109.074 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 41.9 p90 -113.55 59.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 3.9 mp -47.65 153.41 1.07 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.64 21.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -46.91 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.19 -31.96 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.69 -37.89 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.3 29.08 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.703 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 7.3 t90 -80.77 117.52 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -125.43 70.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.224 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.467 ' C ' ' O ' ' A' ' 118' ' ' LYS . 25.1 p-80 -35.07 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.5 ' O ' ' C ' ' A' ' 121' ' ' GLN . 18.6 Cg_endo -74.91 2.77 14.38 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.042 -0.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.0 mp0 -30.06 -69.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.703 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -93.11 -177.14 4.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -172.63 164.17 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -55.34 -50.7 68.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.4 mp -55.18 -54.54 42.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.36 -37.69 88.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -69.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 0.811 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.15 -22.64 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -61.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -44.93 -49.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.503 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 61.8 mtt -51.04 -57.45 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.426 ' CD1' ' OH ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -45.79 -28.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.8 t -90.23 -62.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.468 ' N ' ' O ' ' A' ' 130' ' ' VAL . 37.6 t -45.61 -40.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.454 ' N ' ' O ' ' A' ' 131' ' ' MET . 6.2 m-85 -84.58 -33.31 23.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.519 1.137 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.62 -21.05 66.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.72 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.86 157.16 5.11 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.702 1.252 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.83 113.98 3.92 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.508 1.794 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.73 35.69 0.41 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.553 1.817 . . . . 0.0 111.258 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.402 ' O ' ' O ' ' A' ' 142' ' ' PHE . 0.0 OUTLIER -132.85 -56.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.5 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.2 OUTLIER 55.34 162.65 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.223 0.952 . . . . 0.0 110.854 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.492 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.1 OUTLIER -178.11 36.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.104 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 117.09 67.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.632 1.207 . . . . 0.0 110.401 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.353 0.787 0 O-C-N 124.501 1.79 . . . . 0.0 110.934 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 4' ' ' SER . 26.4 t -150.65 -46.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER 157.38 -169.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.823 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -22.69 0.46 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.261 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.14 39.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 11' ' ' MET . 3.2 tp60 -75.41 -52.26 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.859 1.349 . . . . 0.0 110.219 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -43.15 -56.55 3.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.207 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 -35.39 75.0 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.574 1.171 . . . . 0.0 109.177 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' N ' ' O ' ' A' ' 7' ' ' GLN . 1.0 OUTLIER -65.2 -44.73 87.41 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 7' ' ' GLN . 0.1 OUTLIER -64.47 -44.31 91.44 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 124.258 0.974 . . . . 0.0 111.167 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.4 m -83.32 1.02 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.626 1.204 . . . . 0.0 109.73 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -62.74 -21.58 65.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -101.08 -28.11 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 124.324 1.015 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -53.34 117.41 3.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -68.38 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.517 1.135 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -81.79 49.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.78 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.89 -60.26 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.133 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' ARG . 31.4 t70 -38.85 -39.02 0.48 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -76.28 -50.22 14.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.583 ' OG1' ' CE1' ' A' ' 17' ' ' TYR . 41.5 m -55.46 -55.03 36.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 18' ' ' ARG . 7.0 t -53.0 -42.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 124.641 1.213 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -67.51 -47.92 68.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.382 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 20' ' ' LEU . 11.7 mt-10 -60.48 -46.09 91.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.408 ' N ' ' O ' ' A' ' 21' ' ' THR . 30.6 m -61.43 -32.2 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -71.15 -41.98 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 124.648 1.217 . . . . 0.0 109.408 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . 0.479 ' O ' ' N ' ' A' ' 31' ' ' LEU . 16.1 t-20 -68.17 -51.94 40.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 t -44.54 -59.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 124.624 1.202 . . . . 0.0 109.354 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -62.86 -56.91 14.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 14.0 m -43.11 -45.64 5.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.494 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.2 OUTLIER -68.09 -46.09 71.95 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.756 1.285 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.96 115.73 16.9 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.1 54.62 3.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.908 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.14 -45.81 1.12 Allowed 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.564 1.165 . . . . 0.0 109.193 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.15 110.08 1.73 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.62 116.92 66.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.143 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.85 134.11 17.66 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.6 t -132.36 169.12 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.5 106.49 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.95 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -121.75 135.79 54.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.832 1.332 . . . . 0.0 109.308 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -96.67 137.84 35.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.77 1.294 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.15 147.54 50.82 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.245 0.965 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 m -91.04 144.43 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.704 1.253 . . . . 0.0 109.074 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.7 m-85 -95.86 144.22 26.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.65 89.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.791 1.307 . . . . 0.0 109.313 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER 172.21 -49.58 0.01 OUTLIER 'General case' 0 C--O 1.242 0.664 0 O-C-N 124.25 0.969 . . . . 0.0 109.047 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.29 46.71 0.1 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 39.4 p -139.12 172.62 12.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.227 0.604 . . . . 0.0 110.207 179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.5 p -132.84 153.45 51.29 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.412 1.07 . . . . 0.0 110.265 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -152.22 159.92 43.47 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.658 1.224 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' C ' ' CD2' ' A' ' 52' ' ' LEU . 0.4 OUTLIER -113.25 122.87 48.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.297 0.998 . . . . 0.0 110.254 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.444 ' CD2' ' C ' ' A' ' 51' ' ' GLU . 2.6 mm? -131.29 148.64 52.7 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.837 1.335 . . . . 0.0 109.337 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 ttp -92.94 137.16 32.61 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.722 1.264 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 2.2 p-10 -122.87 118.48 28.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.8 mt -88.88 103.19 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.275 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 m -109.74 111.18 22.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.505 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.62 -175.33 21.8 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 7.5 p -137.4 121.94 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.665 0.862 . . . . 0.0 110.277 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.6 mt -88.82 142.37 30.52 Favored Pre-proline 0 N--CA 1.449 -0.479 0 O-C-N 124.637 1.211 . . . . 0.0 109.519 179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.44 118.44 5.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.508 1.794 . . . . 0.0 111.293 179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 68' ' ' TYR . 25.5 t -144.86 101.92 4.54 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 147.7 34.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -95.39 -38.91 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.592 1.183 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.18 -76.65 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.0 4.8 9.04 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.645 1.215 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -127.16 146.41 50.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 0.724 . . . . 0.0 109.422 179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.0 m -89.13 129.89 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.693 1.246 . . . . 0.0 110.282 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.458 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.3 t80 -100.49 162.75 12.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.667 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -115.04 86.33 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 18.1 mm -73.11 114.05 27.52 Favored Pre-proline 0 C--N 1.321 -0.634 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 136.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.42 1.747 . . . . 0.0 110.861 -179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.07 148.07 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.112 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' CYS . . . . . 0.418 ' SG ' ' CZ ' ' A' ' 88' ' ' PHE . 42.2 t -128.14 148.61 50.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 108.453 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -134.79 127.15 30.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.166 0.916 . . . . 0.0 109.392 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TRP . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 67.0 m95 -100.19 144.66 28.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.4 mp -119.77 163.32 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD1' ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -137.9 176.95 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.083 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -94.84 -28.23 15.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.449 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -97.57 168.14 10.63 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 -35.34 2.95 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.107 -0.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' TYR . . . . . 0.422 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 38.7 m-85 -97.22 -65.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASN . . . . . 0.532 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.4 m-20 162.19 -50.89 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.588 1.18 . . . . 0.0 109.1 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.07 151.35 39.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.98 170.78 19.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -104.17 156.66 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 60.9 m -128.76 134.77 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 108.285 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 2.5 p90 -164.28 147.27 9.22 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 124.637 1.211 . . . . 0.0 111.047 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.55 159.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.29 0.994 . . . . 0.0 109.238 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.95 97.5 50.76 Favored Pre-proline 0 N--CA 1.447 -0.603 0 O-C-N 124.308 1.005 . . . . 0.0 109.249 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.57 149.27 38.6 Favored 'Trans proline' 0 C--N 1.357 0.978 0 O-C-N 124.798 1.946 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.3 p -115.96 -142.25 0.38 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.318 1.011 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 m -100.32 -45.23 5.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -38.15 58.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.605 1.19 . . . . 0.0 109.741 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -176.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 124.619 1.2 . . . . 0.0 110.706 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.44 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 10.9 t -147.42 -154.4 0.55 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 124.603 1.189 . . . . 0.0 110.161 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ILE . . . . . 0.44 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.0 OUTLIER -165.53 117.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.716 1.26 . . . . 0.0 109.208 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 89.4 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.4 p -44.42 135.62 4.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.433 1.083 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.91 -137.81 2.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.639 1.212 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -71.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.552 0.795 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 -74.46 -20.12 60.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 40.7 t -98.32 70.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 124.658 1.224 . . . . 0.0 109.451 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -53.1 -177.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.652 1.22 . . . . 0.0 109.324 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.92 62.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.723 1.264 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -104.59 17.19 24.6 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 56.46 19.57 26.81 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.65 125.7 29.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 27.1 mm -60.98 102.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 124.636 1.21 . . . . 0.0 109.342 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 34.19 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.6 mt -46.36 151.53 0.97 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -42.76 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -61.09 -43.12 99.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.38 -45.03 62.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 48.7 t60 -58.09 -54.88 42.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.564 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.99 33.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' TRP . . . . . 0.504 ' CB ' ' O ' ' A' ' 113' ' ' TYR . 6.0 t90 -131.1 119.44 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.046 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 164.3 25.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' HIS . . . . . 0.479 ' CG ' ' CA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -61.46 171.13 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.544 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' PRO . . . . . 0.479 ' CA ' ' CG ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.06 -16.56 21.15 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.4 mp0 -37.55 -52.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.424 ' N ' ' NE1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER -59.74 139.19 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . 0.451 ' O ' ' N ' ' A' ' 127' ' ' LEU . 51.1 m-20 -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 6.0 mp -55.87 -62.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.4 mp -50.29 -55.59 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.14 -42.73 82.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 129' ' ' GLN . 1.7 mt -62.23 -66.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' LEU . 44.6 mm -39.73 -29.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 127' ' ' LEU . 8.5 tt0 -61.49 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -43.52 -50.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' MET . . . . . 0.516 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 18.9 mtt -58.66 -53.07 62.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.7 mt -45.25 -31.2 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -92.36 -63.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' VAL . . . . . 0.475 ' N ' ' O ' ' A' ' 130' ' ' VAL . 2.6 t -41.86 -44.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 131' ' ' MET . 9.6 m-85 -86.81 -31.53 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.5 -29.11 68.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.388 1.055 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.56 -35.05 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.82 157.55 1.17 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.38 119.47 5.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.415 1.745 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' PRO . . . . . 0.428 ' CG ' ' CE2' ' A' ' 135' ' ' PHE . 18.9 Cg_endo -74.61 0.8 8.24 Favored 'Trans proline' 0 C--N 1.364 1.349 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' VAL . . . . . 0.42 ' O ' ' O ' ' A' ' 142' ' ' PHE . 93.7 t -87.94 -101.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' A' ' 141' ' ' VAL . 2.4 t80 45.36 -172.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.276 0.985 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.84 38.14 2.6 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.718 1.262 . . . . 0.0 109.965 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.22 147.17 8.7 Favored Pre-proline 0 C--N 1.327 -0.372 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.623 1.854 . . . . 0.0 111.148 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.09 -48.38 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.767 1.292 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.638 ' HA ' HG22 ' A' ' 12' ' ' VAL . 63.1 mttt -65.58 -42.34 91.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -55.57 -26.33 42.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -32.86 27.28 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 124.55 1.156 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.831 HG23 ' HG3' ' A' ' 18' ' ' ARG . 15.5 m -105.28 20.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.261 0.976 . . . . 0.0 108.895 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 t -74.34 -19.32 60.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.914 1.384 . . . . 0.0 110.31 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -34.48 33.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.298 0.999 . . . . 0.0 109.171 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.83 145.98 23.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -46.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.085 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 79' ' ' THR . 22.9 m-30 -90.94 27.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.831 ' HG3' HG23 ' A' ' 12' ' ' VAL . 3.8 tmm_? -44.05 -59.49 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.434 1.084 . . . . 0.0 110.093 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -47.04 -36.65 8.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.71 -38.27 54.65 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.823 1.327 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -64.82 -53.04 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.2 t -53.12 -45.46 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -55.49 -53.86 51.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.547 1.154 . . . . 0.0 110.442 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.75 -45.41 82.04 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.695 1.247 . . . . 0.0 110.264 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.525 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -41.96 -43.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.821 1.326 . . . . 0.0 109.294 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.577 ' OD1' HD11 ' A' ' 125' ' ' LEU . 6.3 t-20 -70.15 -54.71 11.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.197 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.76 -56.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.303 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.2 pt -63.5 -56.47 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 0.0 109.147 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.7 m -44.44 -45.13 8.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.047 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD13 HD21 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -69.59 -51.07 38.59 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.231 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -125.95 112.96 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -82.4 54.77 2.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.5 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.53 -52.05 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 29' ' ' ILE . 4.6 mm? -65.15 115.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.71 142.42 24.57 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.34 1.025 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.47 137.16 22.6 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 O-C-N 124.212 1.638 . . . . 0.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 39' ' ' LEU . 15.8 t -134.94 164.71 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.793 1.308 . . . . 0.0 109.525 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.4 tm? -138.15 121.75 17.38 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.326 1.016 . . . . 0.0 109.19 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -137.92 131.05 30.33 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.932 1.395 . . . . 0.0 109.195 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -101.74 157.98 16.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.4 1.062 . . . . 0.0 109.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -154.0 145.75 23.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.625 1.203 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.696 1.248 . . . . 0.0 109.47 179.789 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -136.59 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 124.641 1.213 . . . . 0.0 110.177 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.884 ' C ' HD22 ' A' ' 52' ' ' LEU . 47.6 mt-10 -112.61 123.12 49.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 110.069 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.884 HD22 ' C ' ' A' ' 51' ' ' GLU . 2.7 mm? -128.31 135.86 50.19 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.382 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 ptm -96.46 142.59 28.38 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -124.39 153.19 42.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.405 1.066 . . . . 0.0 109.257 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.29 107.99 17.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 m -112.22 129.76 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.42 ' N ' HD13 ' A' ' 35' ' ' LEU . . . -166.0 -172.69 33.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 71' ' ' PRO . 21.9 p -136.66 138.0 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 0.718 . . . . 0.0 110.683 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.559 HG23 ' HD2' ' A' ' 60' ' ' PRO . 9.0 mm -116.01 138.32 24.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.372 1.045 . . . . 0.0 109.387 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.34 116.17 4.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.538 1.809 . . . . 0.0 110.759 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.618 ' HB ' HD12 ' A' ' 70' ' ' ILE . 2.9 t -116.28 95.79 46.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.534 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.76 147.28 34.83 Favored 'Trans proline' 0 C--N 1.356 0.941 0 O-C-N 124.32 1.695 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CZ ' ' CD ' ' A' ' 64' ' ' ARG . 65.7 t80 -153.22 127.1 8.91 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.447 1.092 . . . . 0.0 111.206 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.556 ' CD ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 60.93 19.95 10.28 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.444 1.09 . . . . 0.0 110.21 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 11.12 60.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.399 1.062 . . . . 0.0 110.994 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 3.1 m120 -101.78 -177.39 3.41 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.552 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -133.42 124.57 27.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -118.39 157.01 27.97 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.25 0.969 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -120.54 93.74 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.618 HD12 ' HB ' ' A' ' 61' ' ' VAL . 17.5 mt -100.58 110.74 61.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HB3' HG22 ' A' ' 58' ' ' THR . 18.4 Cg_endo -74.98 162.65 36.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 124.624 1.855 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.41 HG23 ' C ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -152.72 138.86 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 O-C-N 124.319 1.012 . . . . 0.0 109.437 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 29.0 t -118.38 144.53 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 108.44 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.55 156.8 41.65 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.838 1.336 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.74 ' C ' HD22 ' A' ' 76' ' ' LEU . 52.2 m95 -125.23 141.9 51.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 108.009 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.74 HD22 ' C ' ' A' ' 75' ' ' TRP . 1.7 mm? -120.0 168.65 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -144.45 168.16 20.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 124.813 1.321 . . . . 0.0 109.273 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.53 -36.69 38.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.455 1.097 . . . . 0.0 109.418 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.484 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 5.4 t -174.4 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.455 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.597 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -122.77 165.35 22.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.007 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.597 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 19.4 Cg_endo -74.96 -48.58 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.132 -0.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.42 108.75 18.63 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.603 1.189 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.766 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.2 t30 -42.06 -51.0 10.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.173 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 148.83 35.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.564 1.823 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.623 ' HB3' HD13 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.99 166.61 28.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.13 141.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 p -113.92 137.67 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 2.5 p90 -162.86 144.21 9.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 124.437 1.086 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.607 HG13 HD11 ' A' ' 97' ' ' ILE . 7.2 p -83.46 140.97 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.356 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 118.38 58.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.666 1.229 . . . . 0.0 109.201 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.75 154.33 43.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.35 1.711 . . . . 0.0 111.04 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.6 p -101.28 -164.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.225 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.16 -38.44 7.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -50.82 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -176.25 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.265 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 141' ' ' VAL . 0.2 OUTLIER -136.73 175.14 9.89 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.656 1.223 . . . . 0.0 110.297 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.607 HD11 HG13 ' A' ' 89' ' ' VAL . 4.2 tt -125.4 103.95 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 142' ' ' PHE . 0.4 OUTLIER -94.89 37.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.458 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.423 ' HA ' HG12 ' A' ' 103' ' ' VAL . 1.8 p 43.24 -167.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.77 179.59 42.08 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 124.834 1.334 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -41.66 13.32 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.703 0.884 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.979 ' NE2' HG11 ' A' ' 134' ' ' VAL . 3.3 p80 -115.51 -35.72 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.655 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 99' ' ' THR . 71.2 t -58.13 97.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 124.686 1.241 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.57 -174.93 1.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.45 -21.05 65.57 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.923 1.389 . . . . 0.0 109.054 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -94.51 9.51 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 68.65 9.9 59.73 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -77.15 147.5 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.68 0.871 . . . . 0.0 109.162 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.541 ' CD1' ' CE ' ' A' ' 131' ' ' MET . 1.3 mp -87.03 100.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.295 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.64 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HG ' ' CG ' ' A' ' 102' ' ' HIS . 19.2 mt -64.84 148.53 97.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -74.93 -24.26 13.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -78.46 -22.9 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.19 -58.2 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -50.72 -40.16 53.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.13 37.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.6 t90 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -123.78 75.63 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -40.89 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.03 1.78 15.58 Favored 'Cis proline' 0 C--N 1.359 1.091 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.977 -0.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 120' ' ' PRO . 61.1 mm-40 -34.89 -63.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.64 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.09 170.9 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.28 174.86 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -70.33 -44.82 67.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.577 HD11 ' OD1' ' A' ' 27' ' ' ASN . 7.4 mp -48.42 -52.31 22.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.73 -46.57 74.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.24 -34.6 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.1 mp -84.9 -33.55 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.598 ' O ' HG22 ' A' ' 132' ' ' ILE . 2.1 tt0 -61.18 -57.49 12.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 131' ' ' MET . 2.6 p -43.88 -50.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.541 ' CE ' ' CD1' ' A' ' 109' ' ' ILE . 18.6 mtt -54.23 -54.0 45.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 129' ' ' GLN . 0.9 OUTLIER -45.39 -29.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -86.95 -61.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.979 HG11 ' NE2' ' A' ' 102' ' ' HIS . 25.8 t -47.41 -49.84 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 70' ' ' ILE . 4.6 m-85 -71.58 -34.41 69.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.456 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -69.79 -5.76 53.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.96 -40.53 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.387 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -145.26 118.84 5.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 110.322 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.28 113.74 3.84 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.772 1.933 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 19.0 Cg_endo -75.15 -9.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 96' ' ' THR . 13.2 t -77.19 -67.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -43.24 -40.11 3.28 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 125.091 1.494 . . . . 0.0 109.135 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' SER . 12.0 tttm -62.5 -48.6 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.428 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLN . 32.0 tttt -62.96 -22.65 66.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.29 0.994 . . . . 0.0 109.572 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mmt -81.72 -32.29 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.981 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 m -108.61 14.88 8.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.202 0.939 . . . . 0.0 109.481 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.7 m -76.55 -26.63 55.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.72 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -26.07 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.105 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -55.26 122.25 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -56.01 25.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.079 . . . . 0.0 108.886 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.71 ' CE2' ' ND2' ' A' ' 83' ' ' ASN . 28.5 m-85 -91.6 38.62 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.772 1.295 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -60.95 -31.05 70.62 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.606 1.191 . . . . 0.0 110.331 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 34.0 m-20 -67.0 -42.93 84.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.702 1.251 . . . . 0.0 109.118 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.27 -33.56 69.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -75.25 -53.53 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.49 -44.08 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 O-C-N 124.548 1.155 . . . . 0.0 109.085 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -49.05 73.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.07 -37.54 85.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.261 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 HD13 ' A' ' 29' ' ' ILE . 4.0 m -68.21 -59.45 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.466 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.558 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.18 -40.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.415 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 38.9 t-20 -74.81 -56.19 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -44.07 -48.91 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.301 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.558 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.9 pt -70.89 -53.93 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -47.82 -42.58 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.039 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -46.95 28.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.629 1.206 . . . . 0.0 109.24 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -114.39 116.21 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.49 -30.59 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.861 1.351 . . . . 0.0 108.77 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -34.36 69.12 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 32' ' ' TYR . 2.6 mm? -71.89 128.96 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 109.423 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.83 118.5 25.79 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 136.17 20.17 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.607 1.846 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 39' ' ' LEU . 15.3 t -134.4 165.73 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.4 tm? -125.65 109.88 13.14 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.0 131.24 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.697 1.248 . . . . 0.0 109.0 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -85.18 117.1 23.92 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 124.635 1.209 . . . . 0.0 110.082 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.45 123.93 28.48 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.394 1.059 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.327 -0.374 0 O-C-N 124.362 1.039 . . . . 0.0 109.315 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -112.11 128.11 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.169 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.575 ' O ' HD22 ' A' ' 52' ' ' LEU . 2.3 mp0 -72.61 110.62 7.11 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.291 0.995 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 51' ' ' GLU . 4.6 mm? -126.91 146.67 50.21 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.534 1.146 . . . . 0.0 109.535 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.23 139.24 32.49 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.949 1.406 . . . . 0.0 111.0 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -124.6 139.65 53.67 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 mt -106.76 112.26 25.15 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -120.28 128.26 53.14 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 125.029 1.455 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.89 165.29 38.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 71' ' ' PRO . 20.7 p -119.34 141.96 48.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 0.719 . . . . 0.0 110.221 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 2.2 pt -115.43 148.35 40.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 O-C-N 124.93 1.394 . . . . 0.0 108.825 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.21 127.41 10.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 61' ' ' VAL . 3.3 t -131.77 98.39 17.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 124.262 0.976 . . . . 0.0 109.554 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 17.8 Cg_endo -75.24 128.42 11.29 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -100.28 -61.71 1.33 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.349 1.03 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.95 60.76 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.332 1.02 . . . . 0.0 110.286 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.79 -19.05 53.88 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.742 1.276 . . . . 0.0 111.023 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -104.78 156.26 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.1 m -115.43 130.23 56.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.781 1.301 . . . . 0.0 110.358 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.76 155.8 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -115.78 86.72 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.545 1.153 . . . . 0.0 109.219 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.11 114.08 29.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.3 Cg_endo -74.84 128.82 11.93 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.507 1.793 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.15 138.93 48.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 124.914 1.384 . . . . 0.0 109.064 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 4.4 t -122.74 140.93 52.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.366 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.14 153.86 51.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.801 1.313 . . . . 0.0 109.529 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 87.9 m95 -125.73 126.43 44.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.9 mm? -90.22 170.56 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.005 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -150.6 166.67 29.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 124.58 1.175 . . . . 0.0 109.57 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.3 m-20 -94.99 -35.36 12.0 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.602 1.189 . . . . 0.0 109.112 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -166.63 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.496 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -83.62 162.27 53.67 Favored Pre-proline 0 N--CA 1.452 -0.37 0 O-C-N 124.585 1.178 . . . . 0.0 111.371 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 -41.68 0.96 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.11 -2.454 . . . . 0.0 110.893 -0.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -103.22 -51.73 3.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 124.417 1.073 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.005 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER 164.91 -51.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.0 144.48 30.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.828 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.5 Cg_endo -74.99 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.5 141.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.6 m -122.26 117.12 25.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 2.6 p90 -153.21 154.27 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -82.43 167.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -144.82 93.02 5.71 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 124.846 1.341 . . . . 0.0 109.244 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.0 Cg_endo -75.23 158.02 41.53 Favored 'Trans proline' 0 C--N 1.363 1.337 0 O-C-N 124.003 1.528 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.8 p -94.85 -164.39 1.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.871 1.357 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -49.0 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.778 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -64.26 -54.75 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 110.743 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 142' ' ' PHE . 10.1 t -158.75 -162.46 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.479 HD12 ' HG3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -150.61 133.49 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.521 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 41.17 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 105' ' ' ALA . 66.5 p 42.74 -165.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.353 1.033 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.56 177.32 38.38 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 124.434 1.084 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -43.66 94.72 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 125.203 1.178 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.453 ' CB ' ' HG ' ' A' ' 111' ' ' LEU . 7.4 m-70 -126.72 33.21 5.0 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.164 . . . . 0.0 109.672 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 t -115.68 -5.7 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.191 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.04 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.433 ' HA ' HG22 ' A' ' 99' ' ' THR . . . -104.28 -20.63 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.624 1.203 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -104.04 36.23 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.558 1.161 . . . . 0.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 45.55 43.47 10.91 Favored Glycine 0 CA--C 1.533 1.16 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -109.02 147.64 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.679 0.87 . . . . 0.0 109.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.525 HG23 HD12 ' A' ' 111' ' ' LEU . 1.4 mp -81.26 101.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 33.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.525 HD12 HG23 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -61.08 149.83 80.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.446 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.3 Cg_endo -74.95 -22.66 14.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -77.97 -26.41 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.45 HD22 HG22 ' A' ' 109' ' ' ILE . 18.2 tp -80.72 -62.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -46.19 -42.14 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.85 40.45 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.645 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.8 t90 -81.29 111.57 17.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -119.08 71.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.51 ' HA ' ' C ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -40.54 159.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.94 1.5 15.54 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 120' ' ' PRO . 49.2 mm-40 -35.48 -64.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.645 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.1 168.63 10.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.908 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 127' ' ' LEU . 1.6 m-20 -167.32 166.11 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.421 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -60.08 -45.17 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 125' ' ' LEU . 3.5 mm? -56.43 -62.37 1.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.51 -21.7 28.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -74.1 -71.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.3 mp -39.69 -30.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.438 ' N ' ' C ' ' A' ' 127' ' ' LEU . 4.6 tm0? -57.93 -56.62 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -52.34 -44.18 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.476 ' CE ' HG12 ' A' ' 109' ' ' ILE . 30.4 mtt -61.33 -53.11 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 32' ' ' TYR . 1.6 mt -45.08 -32.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -91.08 -62.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 t -41.93 -45.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 61' ' ' VAL . 15.2 m-85 -83.71 -32.25 25.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.54 -15.03 56.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.316 1.01 . . . . 0.0 110.957 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.62 -50.5 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.2 150.01 10.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 124.658 1.224 . . . . 0.0 110.28 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.57 7.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 -12.8 21.2 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.49 1.784 . . . . 0.0 110.721 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 21.4 m -101.42 128.41 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.567 1.167 . . . . 0.0 109.202 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 96' ' ' THR . 36.6 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.849 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 120.725 0.297 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 37' ' ' PRO . 1.8 tp -45.74 -38.67 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.566 1.166 . . . . 0.0 109.161 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -65.98 -54.34 27.45 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.74 1.275 . . . . 0.0 109.188 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.03 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.769 1.293 . . . . 0.0 109.103 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.595 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.7 mmt -69.14 -48.58 62.01 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 0.0 111.131 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 m -86.85 8.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.872 1.357 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 t -75.51 -3.73 35.73 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.543 1.152 . . . . 0.0 109.683 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -99.44 -32.59 11.07 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.986 1.429 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 1.9 m-85 -45.7 128.07 8.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.166 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -44.53 69.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.315 1.009 . . . . 0.0 109.057 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -87.92 -64.41 1.15 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.082 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 17' ' ' TYR . 2.3 ttt180 66.65 -66.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.663 1.227 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' TYR . 11.4 t70 -45.51 -44.69 12.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.451 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . 1.9 tt -67.94 -53.2 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.52 HG22 ' CE ' ' A' ' 53' ' ' MET . 17.0 m -53.58 -55.35 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -57.89 -42.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 O-C-N 124.669 1.231 . . . . 0.0 108.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -54.26 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.911 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.0 tt0 -66.46 -28.85 68.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.314 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -74.31 -36.11 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -69.5 -39.47 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.42 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.706 HD21 HD21 ' A' ' 125' ' ' LEU . 6.6 t-20 -68.37 -58.2 4.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.62 1.2 . . . . 0.0 109.208 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 24' ' ' GLU . 72.9 t -39.81 -58.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 26' ' ' VAL . 3.0 pt -62.97 -56.11 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.208 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -42.79 -45.21 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.295 0.997 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.728 ' HG ' HD23 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -77.97 -36.43 49.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ILE . 95.2 m-85 -134.74 84.69 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -56.7 -38.78 72.76 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -40.7 -38.12 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.56 1.162 . . . . 0.0 108.933 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 72' ' ' ILE . 8.5 mp -75.58 128.89 36.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 134.63 22.41 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 124.529 1.143 . . . . 0.0 109.678 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HB2' HD21 ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.97 138.76 23.54 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.03 157.02 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 109.436 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD12 ' CE ' ' A' ' 11' ' ' MET . 3.1 tm? -117.3 97.95 6.17 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.603 1.19 . . . . 0.0 109.122 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -104.3 124.98 50.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.301 1.0 . . . . 0.0 109.405 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 p -106.72 138.83 42.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.022 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -150.32 177.36 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.085 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -148.97 158.95 44.57 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.011 1.444 . . . . 0.0 110.665 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.552 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.8 mp0 -108.79 115.48 30.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.8 mm? -119.61 146.53 45.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.546 ' O ' HD23 ' A' ' 76' ' ' LEU . 27.7 ttp -95.51 109.68 21.86 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.55 1.157 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -96.49 138.84 33.47 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 124.432 1.083 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 37' ' ' PRO . 8.2 mt -104.48 134.34 47.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.353 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -136.32 123.92 22.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.615 1.197 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 177.78 39.04 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 p -127.81 153.33 46.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 0.69 . . . . 0.0 110.15 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.719 HG23 ' HD2' ' A' ' 60' ' ' PRO . 18.0 mt -121.69 142.1 35.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.6 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 59' ' ' ILE . 19.2 Cg_endo -74.64 102.25 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.429 1.752 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.551 HG13 ' HA2' ' A' ' 136' ' ' GLY . 49.7 t -117.24 107.68 45.0 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 124.355 1.034 . . . . 0.0 109.421 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.363 1.301 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -118.89 -63.4 1.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -149.1 64.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.288 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.93 -13.39 67.21 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.388 1.055 . . . . 0.0 110.987 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 7.3 m-20 -107.71 169.07 8.82 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.6 0.824 . . . . 0.0 109.158 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -125.84 119.19 27.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.81 1.319 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.78 164.75 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -119.57 86.94 2.65 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.357 1.035 . . . . 0.0 109.416 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 1.024 HG21 ' CD2' ' A' ' 135' ' ' PHE . 26.7 mm -69.6 113.61 18.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.28 128.06 10.97 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.415 1.745 . . . . 0.0 111.221 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.574 HD11 HD21 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -124.79 150.15 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.525 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -129.6 146.82 51.37 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.122 . . . . 0.0 108.465 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -136.03 157.5 46.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.382 1.051 . . . . 0.0 109.398 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -131.79 136.78 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 107.979 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 53' ' ' MET . 4.6 mm? -102.8 175.38 5.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.924 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -149.17 171.6 16.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 83.8 m-20 -92.28 -36.65 13.1 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 t -166.36 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.547 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -91.34 168.54 13.27 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.7 Cg_endo -74.96 -35.6 2.87 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.05 0.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 13.1 m-85 -103.65 -57.05 2.1 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.384 1.052 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.924 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.6 m-20 160.55 -49.91 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 154.05 42.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.467 ' HB2' HD23 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -75.04 168.37 24.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.513 HG21 ' HE3' ' A' ' 108' ' ' LYS . 3.7 mp -104.47 139.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.9 m -87.84 138.51 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -145.03 177.92 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.82 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 107' ' ' GLY . 6.2 p -135.3 150.49 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.159 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -121.55 91.58 48.46 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.703 ' HG3' HD13 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.76 160.15 41.21 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.754 1.923 . . . . 0.0 110.966 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 p -105.83 -176.5 3.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -76.91 -53.61 7.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -41.93 31.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.61 174.08 6.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.456 1.097 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.0 p -129.22 -171.36 2.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.703 HD13 ' HG3' ' A' ' 91' ' ' PRO . 0.7 OUTLIER -134.54 100.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.478 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 p -38.46 142.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.302 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.655 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -133.54 -142.73 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -74.56 -42.7 58.32 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.46 ' CB ' ' HG ' ' A' ' 111' ' ' LEU . 10.5 p-80 -111.45 -50.65 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.655 HG23 ' N ' ' A' ' 100' ' ' GLY . 1.5 m -52.21 97.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 124.739 1.274 . . . . 0.0 109.355 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.39 -175.38 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.375 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -14.6 61.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -112.26 32.23 5.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.724 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 44.34 39.55 5.63 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.612 1.195 . . . . 0.0 110.958 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -98.6 141.53 31.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.491 0.759 . . . . 0.0 109.07 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 109' ' ' ILE . 2.8 mp -84.69 101.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.328 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.31 37.14 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.49 HD12 ' CG2' ' A' ' 109' ' ' ILE . 12.5 mt -53.02 140.47 41.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.06 -20.58 16.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -76.66 -53.32 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -42.97 -41.95 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -65.18 -52.81 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.23 33.98 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 17.3 t90 -129.22 136.99 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.597 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -176.41 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.3 m-70 168.83 163.21 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -38.54 1.76 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.027 -0.061 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.463 ' O ' ' CD ' ' A' ' 121' ' ' GLN . 1.6 pp0? -111.63 57.33 0.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 118' ' ' LYS . 7.8 p -69.68 121.15 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.064 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.6 -179.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 28' ' ' VAL . 14.1 mt -55.24 -48.38 74.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.728 HD23 ' HG ' ' A' ' 31' ' ' LEU . 4.7 mp -40.31 -65.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . -56.17 -39.17 80.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -54.23 -71.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 132' ' ' ILE . 1.6 mp -43.72 -27.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -58.63 -61.07 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -42.98 -47.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 48.8 mtt -57.45 -50.43 73.06 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 128' ' ' ILE . 0.6 OUTLIER -45.3 -34.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.54 -59.64 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 130' ' ' VAL . 55.3 t -42.44 -48.69 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 1.024 ' CD2' HG21 ' A' ' 70' ' ' ILE . 16.4 m-85 -81.28 -32.77 33.05 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.11 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . 0.551 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -56.33 -26.82 51.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.336 1.022 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.7 OUTLIER -82.36 -50.5 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.467 0.745 . . . . 0.0 109.268 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 12.1 mt-10 -161.6 152.48 15.11 Favored Pre-proline 0 N--CA 1.446 -0.643 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.21 121.28 6.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.298 1.683 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 17.8 Cg_endo -74.67 -24.73 13.27 Favored 'Trans proline' 0 C--N 1.364 1.375 0 O-C-N 124.531 1.806 . . . . 0.0 110.905 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.0 m -50.98 -49.34 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.632 1.207 . . . . 0.0 109.208 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.165 0.916 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.4 tt -52.89 -50.43 63.89 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 124.699 1.249 . . . . 0.0 109.225 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.47 -48.98 79.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.467 1.104 . . . . 0.0 109.471 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -58.32 -33.45 69.51 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.632 1.207 . . . . 0.0 109.622 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 2.6 ttm -71.07 -49.52 43.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 124.777 1.298 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 8' ' ' LEU . 26.9 m -88.82 13.41 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.508 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -81.3 -23.14 38.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 110.282 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -95.71 -20.18 19.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.005 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.0 125.03 26.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.51 -53.16 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 1.202 . . . . 0.0 109.181 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.06 36.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.945 1.403 . . . . 0.0 111.133 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.3 ptt180 -46.45 -40.41 12.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.654 1.221 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -76.7 -41.21 46.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 53' ' ' MET . 1.4 m -72.44 -40.3 67.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' ARG . 3.4 t -57.54 -46.91 86.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.661 1.226 . . . . 0.0 109.263 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -72.97 -40.92 64.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.78 -40.3 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 29' ' ' ILE . 6.2 m -68.72 -58.28 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.751 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -48.22 -47.32 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.528 1.143 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 5.6 t-20 -49.29 -69.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 0.0 109.264 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG21 HD23 ' A' ' 124' ' ' LEU . 70.4 t -40.4 -41.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 26' ' ' VAL . 17.8 mt -66.9 -57.41 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.2 m -54.71 -43.09 72.26 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.588 1.18 . . . . 0.0 110.175 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.48 -34.1 76.17 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.378 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.425 ' OH ' HD11 ' A' ' 132' ' ' ILE . 5.7 m-85 -139.71 108.6 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -76.18 57.52 1.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.564 1.165 . . . . 0.0 109.448 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.4 -48.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.954 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 57' ' ' GLY . 3.8 mm? -64.47 110.12 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 148.61 34.9 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.357 0.977 0 O-C-N 124.272 1.67 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.47 159.08 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.937 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -150.53 108.87 3.77 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 124.35 1.032 . . . . 0.0 109.538 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.548 ' N ' HD22 ' A' ' 39' ' ' LEU . 10.2 t70 -133.38 144.34 49.52 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.552 1.158 . . . . 0.0 109.531 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 p -87.7 128.18 35.3 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.326 1.016 . . . . 0.0 109.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -109.59 122.32 47.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.33 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.738 HH21 HD11 ' A' ' 52' ' ' LEU . 10.9 ttp180 -95.38 148.81 22.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.175 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.695 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.1 mp0 -90.11 117.39 28.85 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.761 1.288 . . . . 0.0 110.534 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.738 HD11 HH21 ' A' ' 50' ' ' ARG . 4.2 mm? -127.01 148.43 50.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.615 1.197 . . . . 0.0 109.654 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 21' ' ' THR . 22.4 ptm -105.11 153.15 21.9 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.732 1.27 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -145.05 147.57 32.74 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.54 111.17 23.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.8 m -110.93 137.62 48.34 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.223 0.952 . . . . 0.0 110.649 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' N ' HD13 ' A' ' 35' ' ' LEU . . . 177.26 -161.3 28.73 Favored Glycine 0 CA--C 1.528 0.863 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -140.28 143.36 35.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 0.702 . . . . 0.0 110.195 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 pt -112.41 152.6 44.68 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.607 1.192 . . . . 0.0 108.97 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.82 102.76 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.614 1.85 . . . . 0.0 111.129 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.8 93.69 46.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.354 1.034 . . . . 0.0 109.592 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.82 144.64 31.18 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.608 1.846 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -179.39 35.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.61 1.193 . . . . 0.0 110.926 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -168.08 34.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.261 0.975 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.18 -7.12 76.93 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -148.7 -174.89 4.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 0.743 . . . . 0.0 109.447 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -97.19 141.57 30.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.182 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.09 162.74 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -107.02 82.23 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.367 1.042 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.451 HG21 ' HD2' ' A' ' 135' ' ' PHE . 25.6 mm -74.21 114.31 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.201 . . . . 0.0 109.288 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 130.97 13.91 Favored 'Trans proline' 0 C--N 1.362 1.288 0 O-C-N 124.605 1.845 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pt -135.88 157.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 O-C-N 124.269 0.981 . . . . 0.0 109.248 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.85 141.13 42.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -123.95 148.29 47.03 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.781 1.3 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 81.6 m95 -121.2 139.58 53.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 77' ' ' LEU . 7.7 mp -120.59 -176.16 3.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -151.28 172.89 15.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.579 1.174 . . . . 0.0 109.224 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.4 -35.53 54.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.42 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.14 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -127.63 164.85 33.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 111.011 179.649 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.8 Cg_endo -75.17 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.91 0.25 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -76.84 107.8 9.42 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.719 1.262 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 3.1 t-20 -48.12 -48.63 63.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.95 148.35 35.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.97 165.22 31.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.2 mp -102.02 144.35 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.469 ' HB3' ' CE ' ' A' ' 131' ' ' MET . 85.9 m -93.16 131.99 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 108.235 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' CE2' ' HD3' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -140.0 162.34 35.44 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.644 1.215 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 107' ' ' GLY . 8.7 m -120.81 157.37 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.285 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.98 91.56 42.33 Favored Pre-proline 0 N--CA 1.451 -0.375 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -74.62 159.34 42.73 Favored 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.803 1.949 . . . . 0.0 111.161 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 p -105.84 -152.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.697 1.248 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -44.77 4.97 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 t -59.19 -56.07 26.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.84 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.906 ' HB3' HG22 ' A' ' 141' ' ' VAL . 2.5 mpp? -78.47 -174.61 3.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.7 1.25 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 97' ' ' ILE . 14.8 t -134.26 -158.11 0.86 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.117 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -136.93 89.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.666 1.228 . . . . 0.0 109.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.454 ' HB2' ' CB ' ' A' ' 142' ' ' PHE . 0.1 OUTLIER -64.48 86.15 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 p -41.29 139.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.285 0.99 . . . . 0.0 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.34 -163.68 9.78 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -29.33 60.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -109.7 -28.83 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.782 HG21 ' HB3' ' A' ' 140' ' ' PRO . 79.6 t -82.66 98.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -74.84 -179.49 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.56 -2.83 51.45 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 109.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -109.87 18.08 20.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.792 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 57.54 38.49 87.67 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.442 1.088 . . . . 0.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HD3' ' CE2' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -108.23 132.46 53.63 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.503 0.767 . . . . 0.0 109.397 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.518 HD11 ' CG1' ' A' ' 89' ' ' VAL . 28.9 mm -80.36 99.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.13 85.13 3.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 114' ' ' LEU . 10.3 mt -100.45 108.75 54.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 18.4 Cg_endo -74.94 -5.43 16.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -55.44 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.868 HD13 HD21 ' A' ' 127' ' ' LEU . 2.5 pp -81.57 -7.05 59.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 112' ' ' PRO . 65.3 t60 -70.37 -46.33 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.31 9.87 16.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.413 ' CZ2' ' HB2' ' A' ' 121' ' ' GLN . 23.1 t90 -129.37 154.85 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.952 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.6 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -166.99 104.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.378 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.608 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 63.01 165.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.608 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.97 -52.37 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.027 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.413 ' HB2' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -47.06 -50.11 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.927 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 127' ' ' LEU . 4.9 m-20 -148.25 -176.97 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.451 HD23 HG21 ' A' ' 28' ' ' VAL . 2.8 mp -48.4 -38.17 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.505 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 1.0 OUTLIER -69.72 -59.91 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.6 -15.6 33.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.868 HD21 HD13 ' A' ' 114' ' ' LEU . 16.7 mt -82.97 -53.97 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 mm -59.15 -16.61 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.12 -59.34 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -44.65 -43.19 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.541 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 35.6 mtt -64.88 -53.55 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.425 HD11 ' OH ' ' A' ' 32' ' ' TYR . 4.0 mt -44.9 -31.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -93.33 -63.26 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.7 t -41.89 -42.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 131' ' ' MET . 6.1 m-85 -89.11 -30.28 18.75 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.26 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.6 70.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.65 -54.61 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.45 118.65 4.2 Favored Pre-proline 0 N--CA 1.447 -0.608 0 O-C-N 124.776 1.297 . . . . 0.0 110.486 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.51 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 18.7 Cg_endo -74.56 145.34 33.17 Favored 'Trans proline' 0 C--N 1.356 0.965 0 O-C-N 124.4 1.737 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.782 ' HB3' HG21 ' A' ' 103' ' ' VAL . 17.9 Cg_endo -75.43 -24.33 12.26 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.251 1.658 . . . . 0.0 110.801 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -53.29 -48.45 55.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 124.958 1.411 . . . . 0.0 109.437 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.492 ' N ' ' CG1' ' A' ' 141' ' ' VAL . 1.4 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.593 ' O ' HG22 ' A' ' 12' ' ' VAL . 11.7 tp -58.82 -41.78 87.63 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.986 1.429 . . . . 0.0 109.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -68.11 -48.58 65.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 109.158 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -22.62 67.02 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.78 1.3 . . . . 0.0 109.375 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.7 mtt -78.04 -49.23 14.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.886 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 8' ' ' LEU . 17.3 m -99.87 20.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.596 1.185 . . . . 0.0 108.901 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -78.49 1.27 22.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 124.215 0.947 . . . . 0.0 110.247 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -98.64 -13.61 20.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.583 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.47 ' CE2' HG21 ' A' ' 21' ' ' THR . 3.0 m-30 -65.79 164.51 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -98.6 -39.29 8.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.487 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LEU . 5.2 m-85 -101.48 36.27 2.07 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' THR . 18.5 mtp180 -39.97 -71.04 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.759 1.287 . . . . 0.0 110.429 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 3.2 m-20 -39.93 -32.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.688 1.242 . . . . 0.0 109.392 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -77.65 -50.91 11.51 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.643 1.214 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.47 HG21 ' CE2' ' A' ' 15' ' ' TYR . 8.7 m -62.46 -27.84 69.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -77.25 -40.75 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.494 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.07 -52.51 64.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.798 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.7 pt-20 -63.56 -40.35 96.77 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m -61.78 -38.81 89.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -71.43 -45.96 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.407 -179.737 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 41.4 t-20 -64.95 -52.28 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.285 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 24' ' ' GLU . 39.8 t -43.14 -62.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' TYR . 3.0 pt -62.01 -55.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m -42.5 -46.12 4.7 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.574 1.171 . . . . 0.0 110.526 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -44.84 78.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.633 1.208 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 132' ' ' ILE . 38.0 m-85 -132.83 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -81.75 56.94 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.73 -46.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.926 1.391 . . . . 0.0 109.103 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.798 HD13 ' HA3' ' A' ' 57' ' ' GLY . 3.2 mm? -67.24 128.44 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 124.282 0.989 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 139.08 20.69 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 109.391 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -75.14 136.95 20.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 O-C-N 124.413 1.744 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.08 157.89 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.364 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -122.91 116.11 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.203 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -144.58 135.36 24.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.467 1.104 . . . . 0.0 109.024 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 59.8 p -100.58 159.07 15.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -129.64 114.65 16.29 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.383 1.052 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.422 ' H ' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 O-C-N 124.918 1.386 . . . . 0.0 109.505 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.052 0.453 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 3.1 mtt180 -61.63 123.47 18.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.115 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.622 ' C ' HD22 ' A' ' 52' ' ' LEU . 84.4 mt-10 -71.19 112.81 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.792 1.307 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.622 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.9 mm? -132.95 149.35 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.595 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.14 124.56 47.95 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -104.01 156.14 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -116.11 100.89 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.175 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -105.34 136.67 44.44 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.361 1.038 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.798 ' HA3' HD13 ' A' ' 35' ' ' LEU . . . -163.5 174.51 39.74 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.557 1.161 . . . . 0.0 110.92 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -128.26 119.41 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 0.821 . . . . 0.0 110.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.558 HG23 ' HD2' ' A' ' 60' ' ' PRO . 10.3 mt -94.35 140.52 22.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 59' ' ' ILE . 17.9 Cg_endo -74.92 128.97 11.98 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.251 1.658 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 61' ' ' VAL . 6.4 t -125.84 97.38 35.82 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.416 1.072 . . . . 0.0 109.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -75.14 93.07 0.97 Allowed 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.697 1.893 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 14.8 t80 -85.2 83.9 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.95 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.16 -36.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.456 1.097 . . . . 0.0 111.053 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -83.16 146.65 28.52 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.411 0.713 . . . . 0.0 109.497 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.6 m -108.54 136.62 47.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.184 0.927 . . . . 0.0 110.254 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -109.59 162.63 14.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.929 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -111.18 68.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.616 1.198 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.25 107.52 0.86 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.606 1.191 . . . . 0.0 109.267 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 136.0 19.93 Favored 'Trans proline' 0 C--N 1.362 1.289 0 O-C-N 124.578 1.831 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 pt -142.68 155.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.662 1.226 . . . . 0.0 109.036 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -140.0 139.35 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.56 158.77 25.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.983 1.427 . . . . 0.0 109.432 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -126.63 122.0 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.745 HD11 ' OE2' ' A' ' 24' ' ' GLU . 3.6 mm? -95.05 167.79 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.939 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -143.04 163.31 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 79' ' ' THR . 2.4 p30 -81.2 -38.75 26.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.746 HG22 ' OD1' ' A' ' 78' ' ' ASP . 5.0 t -175.52 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.418 1.074 . . . . 0.0 110.433 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.59 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -99.9 170.22 7.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 O-C-N 124.435 1.084 . . . . 0.0 111.085 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.59 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 18.6 Cg_endo -74.71 -35.21 3.0 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.091 -2.462 . . . . 0.0 111.358 -0.154 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 69.6 m-85 -95.67 -65.86 0.95 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.939 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.6 m-20 160.36 -49.26 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 124.542 1.151 . . . . 0.0 109.106 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.5 Cg_endo -74.97 145.56 31.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' CH2' ' A' ' 117' ' ' TRP . 18.5 Cg_endo -74.96 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.452 HG21 ' CE2' ' A' ' 88' ' ' PHE . 2.9 mt -104.76 160.24 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.405 ' N ' HG22 ' A' ' 86' ' ' ILE . 68.3 m -121.95 134.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.249 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 86' ' ' ILE . 17.0 m-85 -139.17 132.76 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.51 138.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.384 1.053 . . . . 0.0 109.541 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -105.8 112.48 64.43 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.824 1.327 . . . . 0.0 109.261 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.568 ' HB3' HD12 ' A' ' 97' ' ' ILE . 19.0 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.363 1.302 0 O-C-N 124.264 1.665 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.9 p -136.94 163.52 30.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.551 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -87.3 -32.43 19.68 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.425 1.078 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -41.35 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.722 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.586 ' HG3' HG12 ' A' ' 141' ' ' VAL . 0.0 OUTLIER -140.63 147.03 38.7 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -60.84 -161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 91' ' ' PRO . 13.3 tt -124.4 126.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.396 1.06 . . . . 0.0 108.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -79.8 104.7 10.56 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.106 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.8 p -83.24 143.1 30.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.335 1.022 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.46 -128.2 1.43 Allowed Glycine 0 CA--C 1.533 1.199 0 O-C-N 124.471 1.107 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -85.46 -62.22 1.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 124.746 0.909 . . . . 0.0 109.317 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.721 ' ND1' HG23 ' A' ' 103' ' ' VAL . 6.3 p80 -70.81 -48.77 52.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.721 HG23 ' ND1' ' A' ' 102' ' ' HIS . 39.5 t -74.51 94.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.59 1.181 . . . . 0.0 109.136 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.74 -19.1 38.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.739 1.274 . . . . 0.0 109.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.52 34.01 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.202 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' A' ' 97' ' ' ILE . . . 44.22 53.84 6.51 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.579 1.174 . . . . 0.0 110.939 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -117.8 149.24 41.13 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.646 0.851 . . . . 0.0 109.466 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 109' ' ' ILE . 8.4 mm -80.64 102.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.732 1.27 . . . . 0.0 109.268 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.23 50.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 102' ' ' HIS . 30.4 mt -75.23 150.2 85.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -18.18 18.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -28.41 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -33.21 59.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.12 36.29 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 122' ' ' SER . 2.8 t90 -82.11 102.22 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.616 1.197 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.574 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -139.88 14.17 2.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.574 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.63 163.48 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.08 -15.34 22.56 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.99 0.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -36.74 -66.53 0.22 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 15.3 t -93.42 164.08 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -179.68 149.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -40.23 -38.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.494 ' H ' HD22 ' A' ' 125' ' ' LEU . 1.9 mm? -68.27 -59.85 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.94 -20.36 40.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' ASP . 1.6 mm? -68.58 -53.7 21.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -69.49 -19.42 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.38 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.21 -56.31 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -54.27 -46.8 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.564 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 43.0 mtt -57.88 -39.81 78.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 mt -63.5 -30.35 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' VAL . 57.6 t -86.52 -64.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 133' ' ' VAL . 6.7 t -40.49 -50.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 131' ' ' MET . 10.7 m-30 -76.96 -31.24 56.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.558 1.162 . . . . 0.0 111.226 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.53 -12.18 51.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.366 1.041 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.66 -48.7 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.02 151.8 18.14 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.791 1.307 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.82 113.76 3.87 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 17.9 Cg_endo -75.47 -0.03 9.64 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 95' ' ' MET . 57.6 t -86.73 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.269 0.981 . . . . 0.0 109.2 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--N 1.327 -0.389 0 O-C-N 124.224 0.952 . . . . 0.0 110.923 -179.891 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.653 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -55.97 -36.42 67.82 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.808 1.317 . . . . 0.0 109.284 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 12' ' ' VAL . 31.5 mttt -78.83 -29.45 44.69 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -46.96 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.419 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.758 ' HG3' HG13 ' A' ' 12' ' ' VAL . 23.0 ptp -62.47 -36.32 82.09 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 124.848 1.343 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.758 HG13 ' HG3' ' A' ' 11' ' ' MET . 24.2 m -90.12 -3.72 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 124.708 1.255 . . . . 0.0 108.906 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 t -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 -35.96 37.49 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.267 0.979 . . . . 0.0 109.096 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.594 ' CD2' HG21 ' A' ' 21' ' ' THR . 1.0 OUTLIER -51.19 111.17 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.659 1.224 . . . . 0.0 111.04 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 36.8 tttt -45.42 -64.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.047 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 17.9 m-30 -80.14 52.63 1.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 125.117 1.511 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -52.68 61.8 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.325 1.016 . . . . 0.0 110.016 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.72 -37.4 50.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.374 1.046 . . . . 0.0 109.315 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -52.84 8.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.859 1.35 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.594 HG21 ' CD2' ' A' ' 15' ' ' TYR . 16.8 m -53.8 -42.69 68.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.47 -39.85 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 O-C-N 124.536 1.148 . . . . 0.0 109.679 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -59.79 -52.03 67.2 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.417 1.073 . . . . 0.0 110.177 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -67.84 -35.28 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -64.45 -43.95 92.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.592 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -72.03 -42.46 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.365 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 7.7 m-80 -63.97 -49.88 70.77 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.189 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.7 t -49.57 -71.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.8 pt -43.57 -54.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 m -53.92 -42.37 68.68 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.151 . . . . 0.0 110.059 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -52.48 -43.62 65.12 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.669 1.23 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.775 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 22.6 m-85 -104.17 -175.16 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 51.6 mmtt -141.02 51.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.883 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 m-20 173.54 52.28 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.22 0.95 . . . . 0.0 109.416 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.54 HD22 HG12 ' A' ' 28' ' ' VAL . 1.5 mp -118.12 152.03 36.41 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.47 110.53 5.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.202 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.45 134.92 17.64 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 124.556 1.819 . . . . 0.0 110.762 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -121.2 162.68 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.762 HD21 ' HG2' ' A' ' 51' ' ' GLU . 2.3 tm? -137.43 108.08 6.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.608 1.193 . . . . 0.0 108.861 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.84 132.44 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.6 p -107.28 148.82 28.49 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -131.05 119.55 22.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.35 1.031 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 43' ' ' VAL . 2.5 p . . . . . 0 C--N 1.323 -0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.225 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -97.92 114.96 27.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.365 1.041 . . . . 0.0 110.404 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.762 ' HG2' HD21 ' A' ' 39' ' ' LEU . 6.9 tt0 -83.45 113.5 20.81 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.548 1.155 . . . . 0.0 110.231 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.573 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.2 mm? -119.78 148.05 43.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.2 ptm -115.5 133.0 56.45 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 124.759 1.287 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.61 144.16 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.3 mt -109.07 115.83 30.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.374 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 t -122.19 142.71 50.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.706 1.254 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.49 170.66 43.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 p -121.02 118.2 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.775 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 7.6 pt -92.28 150.94 41.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.098 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.25 147.13 32.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.391 1.732 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG21 HD12 ' A' ' 70' ' ' ILE . 2.4 t -149.85 110.01 3.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.434 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.67 95.36 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.83 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.8 t80 -88.62 82.97 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.558 1.162 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 4.2 mmm180 88.06 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.87 -30.78 0.15 Allowed Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.48 1.112 . . . . 0.0 111.072 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -77.45 152.97 33.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.276 0.633 . . . . 0.0 109.712 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -92.96 118.09 30.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.181 0.926 . . . . 0.0 110.463 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 1.4 t80 -102.37 150.29 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -120.05 86.94 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 61' ' ' VAL . 9.3 mt -84.37 123.54 74.78 Favored Pre-proline 0 C--N 1.32 -0.692 0 O-C-N 124.38 1.05 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.609 ' O ' HG23 ' A' ' 72' ' ' ILE . 18.7 Cg_endo -75.05 156.04 42.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.591 1.838 . . . . 0.0 111.244 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.609 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.7 pp -157.66 133.78 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.734 1.272 . . . . 0.0 109.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 0.8 OUTLIER -114.86 153.68 30.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.552 1.158 . . . . 0.0 108.06 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.83 125.86 12.08 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.004 1.44 . . . . 0.0 109.319 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 50.9 m95 -97.42 143.77 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 108.042 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.607 HD22 ' C ' ' A' ' 75' ' ' TRP . 1.6 mm? -113.88 179.44 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.24 -179.05 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.581 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -112.03 -32.08 6.69 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 124.669 1.231 . . . . 0.0 109.172 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 173.81 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.654 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.473 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -152.65 165.36 17.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.897 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.7 Cg_endo -74.75 -56.79 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.077 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 10.9 m-85 -67.16 102.74 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.639 1.212 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.653 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -59.09 -43.64 97.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.0 Cg_endo -75.03 140.08 24.96 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.483 1.78 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.08 165.52 31.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.419 1.747 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.97 148.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 114' ' ' LEU . 84.7 m -124.59 133.55 53.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 7.1 p90 -166.55 149.74 6.99 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 71' ' ' PRO . 11.1 p -87.9 147.74 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.221 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.87 128.63 47.29 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.557 1.161 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.81 144.8 31.42 Favored 'Trans proline' 0 C--N 1.355 0.902 0 O-C-N 124.872 1.985 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.5 p -117.34 -179.13 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.9 p -81.21 -38.69 26.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.394 1.058 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -87.74 -53.32 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 141' ' ' VAL . 18.7 mtm -86.12 165.26 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.562 1.164 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 97' ' ' ILE . 14.3 t -137.74 -153.42 0.48 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.634 1.208 . . . . 0.0 110.666 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.613 HG21 ' HA2' ' A' ' 107' ' ' GLY . 17.8 mt -132.22 114.38 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.404 1.065 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.38 96.64 3.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.118 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.0 p -54.74 135.9 46.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.24 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.28 -136.52 2.21 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -86.27 -61.01 1.84 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -33.9 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.661 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 140' ' ' PRO . 60.6 t -89.29 86.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.414 1.071 . . . . 0.0 109.177 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.87 -159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.659 1.224 . . . . 0.0 109.471 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.34 -17.34 37.09 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.261 0.976 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.51 29.14 5.0 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.461 1.101 . . . . 0.0 109.417 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.613 ' HA2' HG21 ' A' ' 97' ' ' ILE . . . 43.03 26.91 0.54 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.574 1.171 . . . . 0.0 111.171 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 2.4 ttpp -84.9 144.9 28.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 124.381 0.695 . . . . 0.0 109.153 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.74 ' CG2' HD12 ' A' ' 111' ' ' LEU . 19.6 mm -82.47 98.34 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 29.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.74 HD12 ' CG2' ' A' ' 109' ' ' ILE . 20.6 mt -52.2 153.78 4.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.11 18.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -44.55 23.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.499 HD11 ' SG ' ' A' ' 87' ' ' CYS . 2.0 tt -66.84 -43.3 84.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -60.52 -38.59 84.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.613 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 32.77 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.575 ' CD1' ' HB3' ' A' ' 122' ' ' SER . 4.4 t90 -83.81 109.2 17.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.066 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -120.07 74.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -41.62 162.19 0.13 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.98 1.88 15.34 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.053 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.444 ' N ' ' HA ' ' A' ' 119' ' ' HIS . 37.9 mm-40 -34.65 -65.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.575 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.03 162.41 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.93 158.79 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 24' ' ' GLU . 6.3 mp -45.01 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.554 ' H ' HD22 ' A' ' 125' ' ' LEU . 1.6 mm? -51.3 -55.09 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.83 -43.14 99.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -62.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.435 HG23 ' OH ' ' A' ' 32' ' ' TYR . 26.2 mm -45.1 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -59.15 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -51.06 -46.69 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.594 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 9.7 mtt -61.72 -30.42 70.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.08 -31.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.44 -61.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -40.61 -49.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 131' ' ' MET . 10.8 m-30 -79.56 -31.98 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.12 -21.23 45.68 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.3 OUTLIER -95.82 -50.13 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 9.6 mt-10 -164.72 127.65 1.63 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.446 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.04 150.46 38.01 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 18.7 Cg_endo -74.79 -32.34 5.8 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.585 1.834 . . . . 0.0 111.17 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 142' ' ' PHE . 1.2 p -55.98 165.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 124.869 1.356 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 141' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.397 1.061 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.578 0.228 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -57.65 -45.88 84.91 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 124.741 1.276 . . . . 0.0 109.4 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' SER . 7.6 mttt -71.36 -62.29 1.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.95 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -45.45 -29.37 1.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ttm -69.44 -49.62 53.38 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.664 1.228 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG21 ' CG2' ' A' ' 22' ' ' VAL . 34.7 m -97.62 20.16 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.404 1.065 . . . . 0.0 109.459 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.4 m -82.31 -35.96 27.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.595 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -34.82 42.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.226 0.954 . . . . 0.0 109.336 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 4.9 m-85 -54.71 166.41 0.48 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -53.27 3.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.394 1.059 . . . . 0.0 109.344 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.45 36.9 0.89 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.329 1.018 . . . . 0.0 111.021 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 17.9 ptt180 -42.73 -33.75 0.79 Allowed 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.693 1.246 . . . . 0.0 110.337 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -66.37 -46.31 77.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 109.135 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -70.38 -33.93 71.98 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.714 1.259 . . . . 0.0 109.209 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.938 HG23 HD23 ' A' ' 76' ' ' LEU . 22.4 m -72.19 -51.55 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.528 ' CG2' HG21 ' A' ' 12' ' ' VAL . 15.5 t -58.86 -41.59 83.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.547 1.155 . . . . 0.0 109.666 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.93 -52.67 64.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.382 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -59.37 -38.44 80.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.339 1.025 . . . . 0.0 110.364 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.28 -37.51 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -70.09 -42.6 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.116 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' OD1' HD11 ' A' ' 125' ' ' LEU . 3.8 t-20 -67.59 -54.03 23.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.657 1.223 . . . . 0.0 109.164 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.5 t -42.01 -60.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.0 pt -61.94 -56.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -42.75 -44.91 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -69.38 -44.99 70.38 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.756 1.285 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 31' ' ' LEU . 41.2 m-85 -127.57 113.71 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -85.16 57.77 4.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.333 1.021 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -47.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.803 HD11 HD11 ' A' ' 59' ' ' ILE . 6.2 mp -63.19 126.3 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.612 1.195 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -108.35 130.44 22.77 Favored Pre-proline 0 N--CA 1.449 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.644 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.556 ' HA ' HD23 ' A' ' 55' ' ' LEU . 20.4 Cg_endo -74.42 135.94 20.97 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.367 1.719 . . . . 0.0 111.272 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.88 159.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.678 1.236 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.837 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -136.05 104.2 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.535 1.147 . . . . 0.0 109.449 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 145.78 50.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 p -106.25 155.87 19.05 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 109.894 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -147.52 161.71 40.54 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.509 0 O-C-N 124.418 1.073 . . . . 0.0 109.604 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 148.42 31.78 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.457 1.098 . . . . 0.0 110.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.765 ' C ' HD22 ' A' ' 52' ' ' LEU . 4.0 mt-10 -101.51 123.61 45.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 124.807 1.317 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.765 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.9 mm? -133.41 154.87 50.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.433 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 ttm -103.14 119.96 39.81 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.739 1.274 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -106.56 124.92 50.33 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.4 mt -98.11 116.34 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.452 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -122.06 132.98 54.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.475 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . -159.01 177.26 35.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.079 . . . . 0.0 111.076 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 p -119.92 119.08 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 0.767 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 35' ' ' LEU . 3.7 mp -102.07 139.58 20.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 108.995 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.87 130.79 13.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.718 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.5 t -123.13 81.82 51.51 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.606 1.191 . . . . 0.0 109.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.07 133.19 16.2 Favored 'Trans proline' 0 C--N 1.364 1.377 0 O-C-N 124.667 1.877 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -178.89 39.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.8 34.85 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.22 -20.27 17.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 61.8 m-20 -128.99 179.57 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.014 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -115.11 141.24 48.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.785 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -90.06 175.12 7.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.403 1.064 . . . . 0.0 110.893 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -125.79 71.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.297 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.621 HG21 ' HD2' ' A' ' 135' ' ' PHE . 29.5 mt -90.75 113.12 56.82 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 124.678 1.236 . . . . 0.0 109.285 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 18.3 Cg_endo -74.92 162.92 36.48 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 O-C-N 124.349 1.71 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.622 HG12 HD13 ' A' ' 59' ' ' ILE . 2.1 pp -153.05 134.47 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 t -112.78 148.7 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 108.38 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 76' ' ' LEU . 1.7 tt -140.54 121.82 14.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.474 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 96.1 m95 -93.43 135.21 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.938 HD23 HG23 ' A' ' 21' ' ' THR . 7.5 mp -105.69 177.58 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.009 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -150.14 172.95 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.31 -36.85 17.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -178.33 -32.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.8 OUTLIER -102.08 169.2 7.92 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.628 1.205 . . . . 0.0 111.042 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.0 Cg_endo -74.94 -36.07 2.71 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.928 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.433 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 20.8 m-85 -91.69 -69.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.351 1.032 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.009 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.3 m-20 161.08 -50.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.03 154.18 42.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.474 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.0 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.38 139.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.443 ' CB ' ' HB ' ' A' ' 109' ' ' ILE . 61.6 m -82.72 136.81 34.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -147.95 169.5 19.73 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.62 1.2 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.0 p -125.64 151.77 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.223 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.4 90.17 41.85 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.717 1.261 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.12 140.03 24.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.213 1.638 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -97.0 -174.02 2.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.676 1.235 . . . . 0.0 110.246 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.01 -49.13 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.338 1.024 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.83 76.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.927 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.461 ' HG2' ' CG1' ' A' ' 141' ' ' VAL . 0.8 OUTLIER -93.99 -179.41 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.136 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 10.2 t -128.45 -158.32 0.87 Allowed 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.471 1.107 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.7 OUTLIER -131.9 141.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.191 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 142' ' ' PHE . 3.6 tttm -99.24 75.55 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -46.66 136.74 7.54 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.76 -136.61 2.02 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.56 1.162 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.74 -32.84 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-70 -103.63 -27.71 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.363 1.039 . . . . 0.0 109.511 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.58 -21.87 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.411 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.82 -161.19 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.72 1.262 . . . . 0.0 109.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.5 -24.49 13.43 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.811 1.319 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -102.94 29.73 5.24 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 124.53 1.144 . . . . 0.0 109.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.883 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 43.1 52.25 5.89 Favored Glycine 0 CA--C 1.534 1.225 0 O-C-N 124.588 1.18 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.5 ttpt -113.79 114.91 26.96 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.756 0.915 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.715 ' CG2' HD12 ' A' ' 111' ' ' LEU . 12.6 mm -54.23 96.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 O-C-N 124.504 1.128 . . . . 0.0 109.155 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 31.57 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.715 HD12 ' CG2' ' A' ' 109' ' ' ILE . 29.8 mt -52.53 118.9 13.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PRO . . . . . 0.505 ' HD3' ' CE1' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -75.03 -16.41 20.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 117' ' ' TRP . 4.5 m-85 -85.82 -59.73 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -46.0 -38.64 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.72 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -102.67 36.8 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 122' ' ' SER . 10.5 t90 -100.83 -103.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 107.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 40.45 72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.251 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.626 ' CG ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 171.26 150.86 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.91 -8.54 23.42 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.098 -0.094 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -165.28 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -39.39 158.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.09 -179.92 8.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 28' ' ' VAL . 1.8 mt -46.28 -50.36 16.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 125' ' ' LEU . 6.2 mp -51.08 -56.47 12.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.63 -35.09 61.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 114' ' ' LEU . 4.2 mp -59.97 -73.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.19 -27.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 127' ' ' LEU . 12.1 tt0 -59.38 -60.78 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -48.82 -45.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.434 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 38.8 mtt -58.27 -54.48 46.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.65 -29.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.94 -63.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 t -43.0 -40.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.621 ' HD2' HG21 ' A' ' 70' ' ' ILE . 6.2 m-85 -89.49 -30.58 18.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.4 -18.87 70.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.386 1.054 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.73 -41.02 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -146.07 118.42 5.06 Favored Pre-proline 0 N--CA 1.45 -0.462 0 O-C-N 124.132 0.895 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.66 113.46 3.8 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.559 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 17.8 Cg_endo -75.22 -0.29 9.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.41 1.742 . . . . 0.0 110.786 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 95' ' ' MET . 3.5 t -76.19 -25.79 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 124.076 0.86 . . . . 0.0 109.17 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' LYS . 2.5 t80 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.173 0.921 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.589 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.4 mm? -48.96 -45.75 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.17 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.523 ' HA ' HG22 ' A' ' 12' ' ' VAL . 2.8 tttt -65.37 -58.93 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 0.0 109.109 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -52.87 -24.65 9.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.209 0.943 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLN . 22.6 mtt -81.76 -43.14 18.79 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.132 0.895 . . . . 0.0 111.247 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 8' ' ' LEU . 31.8 m -89.49 13.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 t -78.83 -38.25 38.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.087 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -72.6 -28.46 62.8 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.848 1.343 . . . . 0.0 108.854 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -58.31 145.41 37.99 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.711 1.257 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 1.8 ttpt -82.42 -57.35 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 79' ' ' THR . 17.4 m-85 -84.99 44.96 1.12 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.649 1.218 . . . . 0.0 111.041 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HE ' HG21 ' A' ' 22' ' ' VAL . 11.5 ttt180 -56.09 -67.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.141 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -28.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.376 1.047 . . . . 0.0 109.488 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -81.78 -49.75 10.04 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' ARG . 15.8 m -63.15 -51.01 68.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.486 HG21 ' HE ' ' A' ' 18' ' ' ARG . 3.0 t -58.52 -42.99 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 O-C-N 124.5 1.125 . . . . 0.0 109.505 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.09 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.394 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.5 tp10 -61.75 -35.72 78.92 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 124.569 1.168 . . . . 0.0 110.383 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -69.75 -59.79 2.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.648 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.76 -39.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.284 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.429 HD21 HD21 ' A' ' 125' ' ' LEU . 4.1 t-20 -70.77 -61.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 24' ' ' GLU . 22.1 t -39.37 -54.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.331 1.019 . . . . 0.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.8 pt -65.19 -55.2 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.4 m -44.95 -45.08 10.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.829 1.331 . . . . 0.0 109.937 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -41.5 65.2 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.795 1.31 . . . . 0.0 109.18 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.9 m-85 -128.88 86.2 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -41.07 69.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.915 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -41.71 -45.82 3.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.281 0.988 . . . . 0.0 109.435 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.427 HD21 HD11 ' A' ' 72' ' ' ILE . 7.9 mp -65.13 131.1 45.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.622 1.201 . . . . 0.0 109.303 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -123.67 128.84 25.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.62 1.2 . . . . 0.0 109.472 179.673 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.85 142.28 28.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.563 1.823 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 39' ' ' LEU . 14.3 t -130.27 164.8 32.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.589 1.18 . . . . 0.0 109.203 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.8 tm? -127.56 109.82 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.033 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.14 122.09 46.78 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.7 p -98.81 135.46 40.24 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.786 1.304 . . . . 0.0 110.104 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.7 168.96 18.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.422 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 162.94 39.27 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.349 1.031 . . . . 0.0 110.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.768 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.7 mp0 -107.08 120.29 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.616 1.197 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.768 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.2 mm? -131.17 118.82 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.7 ttp -79.46 156.41 27.86 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.39 132.45 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.606 HD12 HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -88.86 119.69 29.58 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.316 1.01 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.2 m -124.17 132.24 53.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 124.459 1.1 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.76 40.54 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.365 1.041 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -120.67 117.26 27.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.631 HG23 ' HD2' ' A' ' 60' ' ' PRO . 30.3 mt -97.02 141.47 23.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 108.982 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 59' ' ' ILE . 19.2 Cg_endo -74.82 128.85 11.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.587 1.835 . . . . 0.0 111.173 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.25 115.1 15.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.618 1.199 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 17.8 Cg_endo -75.4 124.09 8.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.409 1.742 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -93.18 -65.26 1.01 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.89 58.97 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.78 -20.45 36.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 19.3 m-80 -109.37 168.4 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.716 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.9 m -118.92 128.81 54.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.179 0.925 . . . . 0.0 110.604 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -105.88 157.91 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.264 0.977 . . . . 0.0 111.043 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -108.93 89.69 3.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.342 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.748 HG21 ' HD2' ' A' ' 135' ' ' PHE . 29.1 mm -79.96 114.31 45.31 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.12 139.7 24.29 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.385 1.729 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.427 HD11 HD21 ' A' ' 35' ' ' LEU . 1.4 pp -137.76 146.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 O-C-N 124.372 1.045 . . . . 0.0 109.228 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.8 t -134.79 132.75 39.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.472 1.108 . . . . 0.0 108.219 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 HD12 ' A' ' 55' ' ' LEU . 2.1 tm? -118.88 102.02 8.48 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 124.535 1.147 . . . . 0.0 109.441 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -70.11 147.69 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.1 mt -131.42 171.73 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.71 178.4 7.66 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.535 1.147 . . . . 0.0 109.391 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.66 -31.39 19.79 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.406 1.066 . . . . 0.0 109.408 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.569 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER 176.51 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.51 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -121.97 160.6 46.5 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 19.8 Cg_endo -74.86 -55.44 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.176 -0.098 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' C ' ' HD2' ' A' ' 84' ' ' PRO . 7.6 m-85 -78.38 115.66 18.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.195 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 m-20 -51.28 -45.72 89.48 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.462 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.0 149.59 36.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CH2' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.0 164.61 33.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.472 ' O ' HD22 ' A' ' 74' ' ' LEU . 3.0 mp -104.35 140.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.1 m -92.7 149.71 21.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -160.86 156.89 25.74 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.72 1.262 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 107' ' ' GLY . 34.0 m -123.02 99.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.841 1.338 . . . . 0.0 109.194 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -66.79 112.7 10.3 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.169 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.765 ' HB3' HD12 ' A' ' 97' ' ' ILE . 18.1 Cg_endo -75.11 -177.06 3.22 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.299 1.684 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -139.5 -173.81 3.71 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.696 1.247 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -81.73 -15.61 53.8 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.534 1.146 . . . . 0.0 109.785 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 -46.62 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.135 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.52 174.28 0.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.513 1.133 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -128.43 -41.89 1.52 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.532 1.145 . . . . 0.0 110.115 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER 73.58 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -110.85 166.25 11.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.35 1.032 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.0 p -109.58 135.8 49.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.679 1.237 . . . . 0.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.74 -161.29 17.0 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 3.8 mttm -99.89 -17.28 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.331 0.665 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.416 ' CD2' HD23 ' A' ' 111' ' ' LEU . 0.8 OUTLIER -109.88 -6.19 15.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.81 -41.44 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.519 1.137 . . . . 0.0 109.043 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.8 -169.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.355 1.034 . . . . 0.0 109.28 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.12 -18.64 14.85 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.205 0.941 . . . . 0.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -100.17 26.82 6.11 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 124.316 1.01 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.905 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 49.28 24.09 4.73 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.648 1.218 . . . . 0.0 111.007 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.558 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 18.1 tttt -78.61 141.87 37.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.497 ' CG2' HD12 ' A' ' 111' ' ' LEU . 8.0 mm -89.42 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 108' ' ' LYS . 1.5 m-30 -98.06 44.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.063 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.497 HD12 ' CG2' ' A' ' 109' ' ' ILE . 43.9 mt -70.9 155.08 93.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.55 10.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.94 -57.93 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -35.86 79.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -64.96 -42.97 94.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.5 30.76 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CH2' ' HD2' ' A' ' 85' ' ' PRO . 3.8 t90 -81.7 117.09 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.33 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 76.05 161.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.65 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.555 ' HA ' ' CG ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.01 1.32 15.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.018 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.43 ' N ' ' HA ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -85.69 41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.446 ' HA ' ' NE1' ' A' ' 117' ' ' TRP . 63.1 p -93.34 114.0 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 122' ' ' SER . 0.0 OUTLIER 167.35 134.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD13 ' HG2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -62.73 -21.03 65.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 27' ' ' ASN . 4.9 mp -63.79 -54.4 35.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.69 -28.94 66.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.93 -74.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.459 ' H ' HD12 ' A' ' 128' ' ' ILE . 2.8 mp -48.7 -23.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -59.63 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -47.23 -50.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.51 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 53.8 mtt -54.67 -52.99 60.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.46 -32.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -90.75 -62.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.8 t -41.23 -45.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.748 ' HD2' HG21 ' A' ' 70' ' ' ILE . 19.9 m-85 -82.98 -32.74 26.87 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 124.504 1.128 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.82 -14.83 56.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.349 1.031 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -90.08 -43.61 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -169.96 160.6 6.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 117.01 4.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.566 1.824 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.24 0.38 9.08 Favored 'Trans proline' 0 C--N 1.356 0.962 0 O-C-N 124.528 1.804 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.33 122.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--N 1.323 -0.554 0 O-C-N 124.713 1.258 . . . . 0.0 111.076 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.394 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -42.87 82.09 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.624 1.203 . . . . 0.0 109.297 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' SER . 5.5 ttpt -54.13 -54.68 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.317 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -29.49 61.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.588 1.18 . . . . 0.0 109.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.83 61.08 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.148 0.905 . . . . 0.0 111.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 m -96.12 15.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 O-C-N 124.915 1.384 . . . . 0.0 109.44 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LYS . 29.3 t -77.2 -9.31 58.7 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.53 1.144 . . . . 0.0 109.879 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -89.18 -37.3 15.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.439 1.087 . . . . 0.0 108.998 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.4 ' CZ ' ' HG2' ' A' ' 53' ' ' MET . 1.9 m-85 -38.19 123.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 111.135 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.35 -45.91 83.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 14.3 m-85 -97.46 32.51 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.711 1.257 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -44.91 18.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 1.175 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -80.31 -47.55 14.35 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -59.74 -54.13 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.93 -41.7 80.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -61.13 -51.63 68.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 tp10 -62.2 -31.99 72.58 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.449 HG22 HD13 ' A' ' 29' ' ' ILE . 20.2 m -74.25 -57.92 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.543 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.14 -41.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.482 ' ND2' HD11 ' A' ' 125' ' ' LEU . 33.5 t-20 -73.43 -53.86 9.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.352 1.033 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 24' ' ' GLU . 20.3 t -45.77 -51.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.4 pt -68.99 -53.44 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.1 m -47.68 -42.96 26.04 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.597 1.186 . . . . 0.0 110.643 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -38.81 71.33 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CE2' HG21 ' A' ' 128' ' ' ILE . 58.4 m-85 -130.1 88.07 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -49.87 -37.92 33.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 124.517 1.136 . . . . 0.0 109.845 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.84 -47.64 42.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 109.229 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.25 127.96 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.382 1.051 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.4 mmtp -126.83 144.6 50.66 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.09 146.16 31.99 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.502 1.79 . . . . 0.0 110.938 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 39' ' ' LEU . 42.6 t -136.02 168.42 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.148 0.905 . . . . 0.0 109.152 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -131.22 112.27 12.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.688 1.243 . . . . 0.0 109.231 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -124.41 108.69 12.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -94.66 123.6 38.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 125.017 1.448 . . . . 0.0 110.023 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -99.81 148.54 24.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.646 1.216 . . . . 0.0 110.786 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.321 -0.631 0 O-C-N 124.349 1.031 . . . . 0.0 109.219 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HD2' HD21 ' A' ' 52' ' ' LEU . 10.1 ptt180 -106.43 128.22 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.923 1.389 . . . . 0.0 109.956 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HB2' HD11 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.88 103.05 6.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.82 1.325 . . . . 0.0 110.477 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.503 HD21 ' HD2' ' A' ' 50' ' ' ARG . 3.8 mm? -116.04 119.99 37.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.4 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 16.2 ptm -81.35 149.38 28.92 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.749 1.281 . . . . 0.0 111.017 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -134.47 141.66 46.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.4 mt -101.42 112.6 25.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -123.69 154.99 38.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.14 176.26 45.1 Favored Glycine 0 CA--C 1.532 1.132 0 O-C-N 124.419 1.075 . . . . 0.0 110.979 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -118.83 118.79 32.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.724 HG23 ' HD2' ' A' ' 60' ' ' PRO . 83.5 mt -89.83 142.5 29.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.699 1.25 . . . . 0.0 109.066 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 59' ' ' ILE . 17.7 Cg_endo -75.24 109.88 3.0 Favored 'Trans proline' 0 C--N 1.363 1.305 0 O-C-N 124.81 1.953 . . . . 0.0 111.027 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 61' ' ' VAL . 13.0 t -114.78 93.25 32.95 Favored Pre-proline 0 N--CA 1.453 -0.298 0 O-C-N 124.647 1.217 . . . . 0.0 109.116 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -75.49 153.49 39.52 Favored 'Trans proline' 0 C--N 1.363 1.296 0 O-C-N 124.634 1.86 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -155.61 113.31 3.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.21 35.85 18.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.353 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.95 2.25 84.13 Favored Glycine 0 CA--C 1.526 0.747 0 O-C-N 124.67 1.232 . . . . 0.0 111.148 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 11.9 m-20 -91.48 -178.34 5.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.073 0.513 . . . . 0.0 109.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.1 m -148.99 121.31 8.41 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.183 0.927 . . . . 0.0 110.439 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.69 161.45 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -117.17 84.91 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.498 HG21 ' HD2' ' A' ' 135' ' ' PHE . 4.3 mm -80.65 114.1 45.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 O-C-N 124.539 1.149 . . . . 0.0 109.395 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 151.92 40.14 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.509 1.794 . . . . 0.0 111.167 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.55 154.94 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.419 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.0 t -135.52 141.26 45.22 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.427 1.079 . . . . 0.0 108.256 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 140.66 47.52 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.988 1.43 . . . . 0.0 109.329 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 73.0 m95 -109.05 133.0 53.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 85' ' ' PRO . 1.5 mm? -111.74 171.53 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.984 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -148.66 169.06 21.23 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 124.494 1.121 . . . . 0.0 109.447 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.96 -37.63 29.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.534 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 1.7 t -176.08 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 31.9 m-85 -99.56 162.57 20.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.8 Cg_endo -74.89 -55.96 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.129 -2.446 . . . . 0.0 110.987 -0.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 96.1 m-85 -71.94 -71.24 0.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.753 1.283 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.984 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER 160.08 -50.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 124.413 1.07 . . . . 0.0 109.372 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 151.08 39.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.04 167.58 26.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -104.19 155.02 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.455 ' CB ' ' HB ' ' A' ' 109' ' ' ILE . 87.3 m -95.74 142.46 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -154.69 176.12 12.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 111.074 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.78 160.18 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.663 1.227 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 92.22 4.21 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 125.072 1.482 . . . . 0.0 109.197 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.756 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.35 174.65 12.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 O-C-N 124.316 1.693 . . . . 0.0 110.763 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -174.59 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.388 1.055 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -30.79 19.71 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.491 1.119 . . . . 0.0 110.124 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -54.06 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.945 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -79.78 -174.9 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -125.3 -160.97 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.427 1.079 . . . . 0.0 110.18 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.756 HD12 ' HG3' ' A' ' 91' ' ' PRO . 4.7 tt -127.67 145.13 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 140' ' ' PRO . 7.3 tttp -114.07 81.52 1.55 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.621 HG22 HG12 ' A' ' 103' ' ' VAL . 8.3 p -82.51 138.83 34.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.293 0.996 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.25 -89.55 0.09 OUTLIER Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.484 1.115 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -43.54 -72.89 0.05 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.435 ' O ' ' CE1' ' A' ' 110' ' ' TYR . 0.5 OUTLIER -120.24 -39.95 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.805 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.722 HG21 ' HB2' ' A' ' 140' ' ' PRO . 55.2 t -55.75 116.76 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.371 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -168.62 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.87 61.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.72 1.262 . . . . 0.0 109.259 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -108.61 22.36 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.609 1.193 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 50.89 33.77 28.93 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 8.8 tttt -90.77 143.12 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 0.835 . . . . 0.0 109.435 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.625 ' CG2' HD12 ' A' ' 111' ' ' LEU . 33.6 mm -102.1 99.3 8.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.899 1.374 . . . . 0.0 109.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 28.6 p90 -109.05 39.83 1.96 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.625 HD12 ' CG2' ' A' ' 109' ' ' ILE . 3.9 mt -42.86 155.09 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.07 10.31 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -47.26 70.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -55.81 -42.27 75.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -40.39 95.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.601 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -102.54 34.48 2.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.662 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 2.8 t90 -80.88 118.73 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.8 OUTLIER -121.66 76.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -41.41 162.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.528 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 1.94 15.39 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.059 -2.475 . . . . 0.0 111.033 0.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.3 mp0 -32.65 -63.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -92.94 172.67 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -178.51 169.36 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.74 -36.47 72.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.482 HD11 ' ND2' ' A' ' 27' ' ' ASN . 3.0 mp -61.31 -56.79 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.16 -33.93 88.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 130' ' ' VAL . 15.2 mt -55.01 -56.57 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.786 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.581 HG21 ' CE2' ' A' ' 32' ' ' TYR . 2.0 mp -68.49 -17.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -56.56 4.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 127' ' ' LEU . 1.8 p -51.14 -35.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.58 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 5.7 mtt -66.33 -54.78 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.418 HG13 HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -45.38 -32.27 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -87.34 -61.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 t -43.95 -48.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 131' ' ' MET . 4.6 m-85 -74.31 -34.06 63.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.87 -19.54 63.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.279 0.987 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.7 -50.82 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.386 0.698 . . . . 0.0 109.338 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.36 114.09 10.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.407 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 141' ' ' VAL . 17.8 Cg_endo -75.13 113.59 3.82 Favored 'Trans proline' 0 C--N 1.356 0.948 0 O-C-N 124.411 1.743 . . . . 0.0 111.058 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.722 ' HB2' HG21 ' A' ' 103' ' ' VAL . 17.9 Cg_endo -75.22 33.78 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.444 1.76 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 139' ' ' PRO . 25.0 t -108.77 -15.54 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.471 0.177 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -61.69 -48.17 81.98 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.493 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -48.99 -56.82 7.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -33.69 34.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.147 0.905 . . . . 0.0 109.796 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.485 ' HE1' HD23 ' A' ' 39' ' ' LEU . 9.1 tmm? -75.96 -43.86 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 9' ' ' LYS . 35.5 m -88.02 13.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.525 1.14 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 31.2 t -62.4 -25.33 67.88 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 124.619 1.199 . . . . 0.0 109.876 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -27.36 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.871 1.357 . . . . 0.0 109.415 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.67 ' OH ' HD13 ' A' ' 52' ' ' LEU . 1.1 m-85 -45.16 122.29 3.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -57.16 13.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.438 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 35.3 m-85 -92.1 39.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.661 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.45 -29.97 69.36 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.372 1.045 . . . . 0.0 110.092 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 3.5 t70 -78.16 -40.41 37.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.527 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -34.94 71.63 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -76.4 -55.26 5.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 18' ' ' ARG . 42.9 t -52.41 -38.23 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 124.458 1.099 . . . . 0.0 109.515 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -68.29 -49.19 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.8 -41.48 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 29' ' ' ILE . 3.0 m -61.12 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -42.07 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.667 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.712 ' OD1' HD11 ' A' ' 125' ' ' LEU . 6.0 t-20 -64.95 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.353 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 69.1 t -39.56 -30.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 55' ' ' LEU . 5.4 mm -73.77 -53.97 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.3 m -66.0 -42.25 89.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.62 -31.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.282 0.989 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ILE . 1.7 m-85 -124.72 -179.6 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -144.32 78.33 1.57 Allowed 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.563 1.165 . . . . 0.0 109.029 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t0 178.44 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.576 1.172 . . . . 0.0 109.217 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.596 HD12 ' HA3' ' A' ' 57' ' ' GLY . 4.2 mp -63.99 127.76 32.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.7 mtpt -116.39 130.41 24.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 124.649 1.218 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.6 Cg_endo -75.1 137.33 21.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.648 1.867 . . . . 0.0 111.099 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 39' ' ' LEU . 44.0 t -123.71 168.93 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.124 0.89 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -149.49 109.89 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' N ' HD22 ' A' ' 39' ' ' LEU . 23.7 t70 -133.51 134.22 43.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -95.59 145.73 25.01 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.971 1.419 . . . . 0.0 109.861 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.49 133.06 56.39 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.648 1.217 . . . . 0.0 110.89 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 43' ' ' VAL . 2.5 p . . . . . 0 C--N 1.321 -0.649 0 O-C-N 124.839 1.337 . . . . 0.0 109.123 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 139.32 46.24 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.701 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -81.98 122.32 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.828 1.33 . . . . 0.0 109.927 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 51' ' ' GLU . 4.5 mm? -128.87 134.12 48.18 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.456 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -74.78 169.6 17.56 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.181 0.926 . . . . 0.0 110.95 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.602 ' OD1' ' CE3' ' A' ' 75' ' ' TRP . 14.8 m-80 -157.77 146.1 19.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.681 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.9 mt -122.86 107.42 11.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.598 1.186 . . . . 0.0 109.42 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -116.96 145.76 43.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.348 1.03 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.596 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . 174.18 -170.18 43.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -132.16 137.24 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.334 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 60' ' ' PRO . 5.3 mp -105.49 141.84 23.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.346 1.029 . . . . 0.0 109.442 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.5 Cg_endo -74.59 123.23 7.93 Favored 'Trans proline' 0 C--N 1.358 1.041 0 O-C-N 124.277 1.672 . . . . 0.0 111.024 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 70' ' ' ILE . 2.1 t -117.72 106.18 46.52 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.53 90.41 1.13 Allowed 'Trans proline' 0 C--N 1.365 1.404 0 O-C-N 124.73 1.911 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 11.0 t80 -79.93 77.82 6.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 1.3 mmt85 84.56 -42.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -165.25 -35.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -81.39 149.04 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.446 0.733 . . . . 0.0 109.565 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.7 m -102.05 125.63 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.36 1.038 . . . . 0.0 110.609 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -100.85 159.05 15.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 1.182 . . . . 0.0 110.948 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -114.38 80.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.221 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 139' ' ' PRO . 12.1 mm -72.63 113.98 26.02 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.754 1.284 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 72' ' ' ILE . 18.6 Cg_endo -75.01 142.14 27.46 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.433 1.754 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.5 pp -154.92 159.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 38.5 t -144.74 152.56 40.56 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.475 1.109 . . . . 0.0 108.16 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -135.72 145.64 46.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.4 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.602 ' CE3' ' OD1' ' A' ' 54' ' ' ASN . 47.6 m95 -111.78 129.74 56.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.0 mm? -84.85 168.84 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.012 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -152.69 158.98 43.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.613 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.9 m-20 -89.26 -33.95 16.79 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.617 1.198 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.41 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.2 t -161.73 -42.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.523 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -75.65 160.01 80.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.087 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.9 Cg_endo -75.06 -47.02 0.33 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.88 -2.55 . . . . 0.0 110.93 0.076 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.405 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 84.7 t80 -106.54 -35.73 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.012 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER 164.09 -51.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.04 152.95 41.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' HB2' HD23 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -75.08 -175.68 2.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.09 149.88 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.46 ' SG ' HD11 ' A' ' 74' ' ' LEU . 95.1 m -122.75 129.16 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 1.5 p90 -158.99 147.78 18.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.63 HG22 ' HA3' ' A' ' 107' ' ' GLY . 12.1 m -75.43 165.32 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.384 1.052 . . . . 0.0 109.239 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 68.08 7.74 Favored Pre-proline 0 C--N 1.321 -0.635 0 O-C-N 124.612 1.195 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.532 ' HD3' HG23 ' A' ' 89' ' ' VAL . 18.5 Cg_endo -74.88 178.24 7.47 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.828 1.962 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.6 p -82.68 -169.7 2.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.932 1.395 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -44.34 16.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.02 -52.44 65.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.593 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.439 ' HG2' ' CG1' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -58.17 177.26 0.13 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.6 p -133.64 -165.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.351 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.59 114.72 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 124.401 1.063 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -91.77 93.03 8.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.542 1.152 . . . . 0.0 109.205 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 p -40.21 139.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.704 1.253 . . . . 0.0 110.411 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.797 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -140.95 -148.26 5.07 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.661 1.225 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -41.85 64.47 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.79 0.935 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -108.87 -50.12 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.797 HG23 ' N ' ' A' ' 100' ' ' GLY . 9.4 m -55.4 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.65 1.219 . . . . 0.0 109.363 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.16 -173.02 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.682 1.239 . . . . 0.0 109.437 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.5 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.945 1.403 . . . . 0.0 109.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -78.13 -27.41 48.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 124.674 1.233 . . . . 0.0 109.419 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.63 ' HA3' HG22 ' A' ' 89' ' ' VAL . . . 114.58 -8.83 22.06 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.09 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 1.9 ttpt -55.11 129.93 40.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.886 HD11 ' HE2' ' A' ' 131' ' ' MET . 15.1 pt -106.86 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.313 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 32.6 p90 -117.69 54.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 111' ' ' LEU . 1.2 mp -39.61 151.09 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -34.82 3.57 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -54.87 -51.74 64.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.754 HD11 ' HG ' ' A' ' 127' ' ' LEU . 3.2 mm? -44.72 -59.39 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -47.8 -40.21 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.55 28.28 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.45 ' NE1' ' O ' ' A' ' 119' ' ' HIS . 6.5 t90 -115.49 130.16 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -167.12 40.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.4 m-70 171.9 162.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.622 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.1 Cg_endo -75.03 -8.69 23.85 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -155.61 47.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 p -43.49 125.34 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -175.05 -178.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mt -48.29 -45.25 34.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.712 HD11 ' OD1' ' A' ' 27' ' ' ASN . 3.9 mm? -46.56 -66.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.34 -39.35 64.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.754 ' HG ' HD11 ' A' ' 114' ' ' LEU . 1.3 mt -53.18 -62.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.91 -32.0 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -54.37 -57.04 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -54.12 -40.71 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.886 ' HE2' HD11 ' A' ' 109' ' ' ILE . 15.3 mtt -66.34 -25.0 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.63 -33.99 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 134' ' ' VAL . 48.6 t -88.72 -60.07 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 135' ' ' PHE . 4.0 t -39.96 -49.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 131' ' ' MET . 13.7 m-30 -80.08 -32.58 39.25 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 124.456 1.097 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.92 -14.57 52.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.345 1.028 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.44 -46.89 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.03 148.96 2.14 Favored Pre-proline 0 C--N 1.322 -0.597 0 O-C-N 124.831 1.332 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.58 ' HB3' HD11 ' A' ' 70' ' ' ILE . 18.3 Cg_endo -74.97 113.28 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HB2' HG11 ' A' ' 103' ' ' VAL . 18.4 Cg_endo -74.96 -13.94 21.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.548 1.815 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.439 ' CG1' ' HG2' ' A' ' 95' ' ' MET . 2.6 t -63.48 -18.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.829 1.331 . . . . 0.0 109.184 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.254 0.971 . . . . 0.0 111.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 110.551 -0.166 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 8.6 tp -59.0 -19.48 43.95 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.817 1.323 . . . . 0.0 109.463 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' SER . 1.2 tttt -81.1 -48.46 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.559 1.162 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -23.21 67.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.764 1.29 . . . . 0.0 109.217 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -42.99 18.21 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.079 0.862 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' LEU . 3.7 m -98.77 17.66 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.332 1.02 . . . . 0.0 109.53 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.27 -7.18 45.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.509 -179.777 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -37.69 11.45 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 125.087 1.492 . . . . 0.0 108.853 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -47.56 123.26 5.58 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 124.62 1.2 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -56.72 -64.11 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.116 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -85.26 43.42 1.01 Allowed 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.998 1.436 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 28.4 ptt180 -62.55 -39.8 94.79 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.456 1.098 . . . . 0.0 110.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.5 t70 -56.35 -37.21 69.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.331 1.02 . . . . 0.0 109.421 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.72 -41.08 46.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 7.1 m -65.01 -45.26 86.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.84 -37.65 79.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.58 1.175 . . . . 0.0 109.486 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -74.67 -46.01 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.4 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -67.2 -38.11 84.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 124.748 1.28 . . . . 0.0 110.384 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' THR . 5.0 m -64.38 -37.95 89.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.41 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -42.42 90.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.563 1.164 . . . . 0.0 109.174 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' VAL . 36.2 t-20 -69.6 -53.85 16.83 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 24' ' ' GLU . 35.6 t -40.78 -61.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' TYR . 1.9 pt -61.01 -56.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.196 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -42.8 -46.5 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.137 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 HD23 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -66.43 -45.84 78.52 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CE1' HD11 ' A' ' 132' ' ' ILE . 61.4 m-85 -128.03 114.31 16.92 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.603 1.189 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.78 61.24 6.34 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.606 1.191 . . . . 0.0 108.952 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 35' ' ' LEU . 21.4 p-10 -132.38 -51.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.682 1.239 . . . . 0.0 109.398 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 57' ' ' GLY . 3.4 mm? -67.62 117.33 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.643 1.214 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -97.78 136.64 21.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 19.6 Cg_endo -74.6 134.49 18.61 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.526 1.803 . . . . 0.0 111.336 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.75 159.35 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.32 105.86 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.599 1.187 . . . . 0.0 109.088 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' LEU . 19.5 t0 -129.67 127.83 41.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.8 p -102.02 149.29 24.39 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.725 1.265 . . . . 0.0 110.142 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -126.16 143.23 51.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.423 1.077 . . . . 0.0 110.911 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.319 -0.753 0 O-C-N 124.831 1.332 . . . . 0.0 109.06 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.83 134.73 37.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.374 1.046 . . . . 0.0 110.449 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.529 ' C ' HD22 ' A' ' 52' ' ' LEU . 19.0 mt-10 -80.33 114.22 19.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.846 1.341 . . . . 0.0 110.122 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 76' ' ' LEU . 4.5 mm? -120.84 138.23 54.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.366 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 ttm -82.06 133.76 35.3 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -123.52 130.9 53.37 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 124.356 1.035 . . . . 0.0 109.271 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD12 HD21 ' A' ' 76' ' ' LEU . 21.3 mt -105.39 109.45 21.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.429 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -116.47 140.21 49.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.7 1.25 . . . . 0.0 110.444 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' HD13 ' A' ' 35' ' ' LEU . . . -167.23 -170.73 32.44 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -131.01 117.9 19.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 0.823 . . . . 0.0 110.187 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 60' ' ' PRO . 95.3 mt -93.74 142.04 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.446 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.9 Cg_endo -74.61 123.63 8.23 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.441 1.758 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 135' ' ' PHE . 2.8 t -119.59 97.82 49.97 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.83 94.97 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.3 t80 -96.54 90.8 5.49 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER 88.05 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.415 1.072 . . . . 0.0 110.274 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.34 -28.28 0.2 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.412 1.07 . . . . 0.0 111.104 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.7 p30 -75.59 148.49 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.824 . . . . 0.0 109.13 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.6 m -99.05 124.66 44.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.296 0.997 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.94 157.73 17.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.102 . . . . 0.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -114.82 75.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.327 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.708 HG21 ' HD2' ' A' ' 135' ' ' PHE . 15.4 mm -73.86 114.13 29.66 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.1 17.45 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.543 1.812 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -130.75 151.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.054 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.9 t -133.97 135.13 43.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 108.169 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 85' ' ' PRO . 1.7 tm? -123.83 125.64 45.03 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.342 1.026 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -96.87 123.88 40.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.618 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.7 mm? -93.37 174.13 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 1.02 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -148.69 174.78 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.573 ' OD2' ' CE2' ' A' ' 80' ' ' TYR . 13.1 p-10 -92.44 -38.11 12.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 8.9 t -176.76 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' OD2' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -101.06 162.29 21.02 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.8 Cg_endo -74.64 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.227 -2.406 . . . . 0.0 111.074 -0.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.481 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 72.1 m-85 -71.99 -69.99 0.36 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 1.02 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER 160.29 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 154.76 42.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' CB ' HD11 ' A' ' 74' ' ' LEU . 18.6 Cg_endo -74.91 166.01 30.16 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.402 ' O ' HD22 ' A' ' 74' ' ' LEU . 2.3 mp -104.4 127.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.496 ' HB3' ' HE2' ' A' ' 131' ' ' MET . 75.3 m -76.37 141.87 41.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -154.38 161.43 41.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 124.597 1.186 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.59 HG22 ' HA3' ' A' ' 107' ' ' GLY . 21.4 m -112.32 149.18 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.369 1.043 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -122.41 77.85 45.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD3' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 170.84 19.52 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.596 1.84 . . . . 0.0 110.961 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.6 p -116.01 -174.91 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.356 1.035 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.45 1.094 . . . . 0.0 109.871 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -51.76 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 176.71 1.26 Allowed 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.552 1.157 . . . . 0.0 111.227 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 142' ' ' PHE . 12.6 t -151.88 -155.82 0.65 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.526 1.141 . . . . 0.0 110.503 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.419 ' N ' ' OG1' ' A' ' 96' ' ' THR . 19.8 mt -138.95 130.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 108.975 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -95.3 80.72 3.56 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.7 p -39.02 135.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.203 0.94 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.72 -135.96 1.93 Allowed Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.701 1.251 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -71.03 0.54 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 124.969 1.041 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.596 ' NE2' HG23 ' A' ' 103' ' ' VAL . 2.4 p80 -79.97 -23.55 41.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.596 HG23 ' NE2' ' A' ' 102' ' ' HIS . 70.2 t -87.16 81.24 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.639 1.212 . . . . 0.0 109.377 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.33 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.58 -45.5 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -75.55 -12.25 60.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.559 1.162 . . . . 0.0 109.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.59 ' HA3' HG22 ' A' ' 89' ' ' VAL . . . 96.47 22.08 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.095 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.4 tttt -76.13 104.9 6.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.469 ' HB ' ' CB ' ' A' ' 87' ' ' CYS . 21.6 mm -60.79 93.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.94 84.52 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 114' ' ' LEU . 28.4 mt -92.49 112.79 57.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.3 19.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.05 -39.08 72.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 114' ' ' LEU . 1.4 pp -91.13 -5.77 54.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -77.22 -42.06 38.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -99.98 23.92 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CE2' ' HB3' ' A' ' 122' ' ' SER . 6.4 t90 -129.49 -70.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.588 ' HD2' ' CD2' ' A' ' 119' ' ' HIS . 0.0 OUTLIER 30.8 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.625 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 59.8 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.625 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.913 0.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.28 -42.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -83.32 157.72 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.49 174.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.9 -46.82 2.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.437 1.086 . . . . 0.0 109.193 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 31' ' ' LEU . 2.5 mp -62.7 -53.52 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.19 -35.02 68.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 130' ' ' VAL . 35.9 mt -54.54 -72.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 128' ' ' ILE . 3.3 mp -49.97 -23.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.15 -58.38 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -50.04 -43.93 21.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.496 ' HE2' ' HB3' ' A' ' 87' ' ' CYS . 48.6 mtt -62.16 -52.27 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' A' ' 32' ' ' TYR . 1.9 mt -45.39 -32.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' VAL . 96.9 t -92.05 -63.41 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' VAL . 6.2 t -40.05 -43.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.708 ' HD2' HG21 ' A' ' 70' ' ' ILE . 7.9 m-85 -88.4 -30.52 19.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.3 -23.66 66.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.98 -51.13 6.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.767 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.77 152.97 21.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.289 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 63' ' ' TYR . 17.8 Cg_endo -75.34 122.57 7.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.65 1.868 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.7 -20.0 18.06 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.49 1.784 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.1 m -91.61 124.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.901 1.376 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 96' ' ' THR . 7.6 t80 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.78 ' O ' HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -48.61 -50.41 32.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.275 0.984 . . . . 0.0 109.292 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.4 tttp -51.24 -47.19 62.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -58.42 -23.43 57.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 39' ' ' LEU . 11.2 tmm? -87.96 -42.01 12.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.177 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 8' ' ' LEU . 1.1 m -69.74 -7.8 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -65.6 -15.28 62.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.715 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.21 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.471 ' CD1' ' OD2' ' A' ' 78' ' ' ASP . 1.5 m-85 -48.19 119.52 3.0 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.337 1.023 . . . . 0.0 111.044 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -47.12 23.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' CZ ' ' OG1' ' A' ' 79' ' ' THR . 10.2 m-85 -90.63 40.23 1.01 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.634 1.209 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.9 tmm_? -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.254 0.971 . . . . 0.0 110.085 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.95 -50.53 70.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.54 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' OE2' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -58.41 -52.84 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.235 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -57.34 -54.49 46.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.455 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' ARG . 44.4 t -55.49 -43.62 72.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.594 1.184 . . . . 0.0 109.143 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -65.61 -48.83 70.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' OE2' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -40.22 96.73 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.734 1.271 . . . . 0.0 110.288 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -62.82 -59.16 5.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -42.68 -44.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.839 1.337 . . . . 0.0 109.121 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.439 HD21 HD21 ' A' ' 125' ' ' LEU . 10.7 t-20 -69.93 -55.63 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.7 1.25 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.447 HG21 HD13 ' A' ' 124' ' ' LEU . 2.6 t -41.65 -57.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.284 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.2 pt -63.82 -56.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -43.27 -45.32 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -74.53 -45.54 45.06 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 124.703 1.252 . . . . 0.0 109.152 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 31' ' ' LEU . 84.7 m-85 -124.41 91.55 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -59.83 -47.34 86.12 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.63 1.206 . . . . 0.0 108.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -36.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.333 1.021 . . . . 0.0 109.08 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.68 131.03 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.044 . . . . 0.0 109.3 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.0 129.77 24.44 Favored Pre-proline 0 N--CA 1.449 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.614 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -74.39 136.77 22.24 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 O-C-N 124.216 1.64 . . . . 0.0 111.566 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.97 154.46 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.09 0.869 . . . . 0.0 109.224 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -130.1 115.99 17.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.138 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.848 ' N ' HD22 ' A' ' 39' ' ' LEU . 35.2 t70 -137.47 133.54 34.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.737 1.273 . . . . 0.0 109.372 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 13.4 p -82.36 123.65 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.76 1.287 . . . . 0.0 110.085 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -100.53 144.54 29.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.539 1.149 . . . . 0.0 111.204 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.448 -0.527 0 O-C-N 124.374 1.046 . . . . 0.0 109.723 179.837 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -128.76 149.42 50.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.552 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.543 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -84.04 116.33 22.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.616 1.197 . . . . 0.0 110.468 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.543 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.1 mm? -126.95 134.96 50.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.85 1.344 . . . . 0.0 109.58 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.727 ' HB2' HD11 ' A' ' 8' ' ' LEU . 3.8 ppp? -80.28 137.3 36.6 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 124.027 0.829 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -125.22 121.07 33.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB2' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -91.91 116.61 29.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' THR . . . . . 0.412 ' HG1' ' HG ' ' A' ' 73' ' ' CYS . 54.7 m -121.16 148.22 44.51 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -175.66 47.77 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 p -133.24 122.88 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 0.827 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.545 HG22 ' CG1' ' A' ' 61' ' ' VAL . 35.1 mt -89.25 115.79 64.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.095 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.44 94.76 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.667 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.545 ' CG1' HG22 ' A' ' 59' ' ' ILE . 5.0 m -111.34 146.46 34.64 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.745 1.278 . . . . 0.0 109.072 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.9 Cg_endo -74.61 123.94 8.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.609 1.847 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.663 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 16.0 t80 -93.55 -49.69 5.77 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.361 1.038 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -163.1 72.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 -15.14 33.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 11.7 m120 -117.25 177.81 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 0.0 109.206 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -104.14 132.67 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.663 ' CE1' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -109.43 156.93 19.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -111.26 100.13 8.82 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.346 1.029 . . . . 0.0 109.252 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 135' ' ' PHE . 8.9 mm -92.63 112.34 55.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 114.71 4.08 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.33 1.7 . . . . 0.0 110.741 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 59' ' ' ILE . 2.5 pp -124.36 140.58 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.416 1.073 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 50.4 t -149.99 138.85 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.227 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.622 ' O ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -140.36 159.59 41.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 124.331 1.019 . . . . 0.0 109.386 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 50.9 m95 -115.79 144.45 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 53' ' ' MET . 10.3 mp -110.7 -177.92 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.934 HD11 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -142.3 -172.81 3.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 79' ' ' THR . 1.2 m-20 -109.94 -23.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.52 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER 167.17 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.102 . . . . 0.0 110.419 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -149.77 164.62 20.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.583 1.177 . . . . 0.0 110.92 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.88 -58.38 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.947 -0.328 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.0 m-85 -71.29 98.15 1.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.84 1.337 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.934 ' O ' HD11 ' A' ' 77' ' ' LEU . 8.3 t-20 -50.38 -45.72 83.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.149 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.91 142.66 28.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.472 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -75.09 163.99 34.07 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 104.25 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.34 133.8 33.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 108.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -159.43 147.64 17.6 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.618 1.199 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.483 HG23 HD11 ' A' ' 97' ' ' ILE . 23.2 m -91.27 123.13 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.31 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -66.29 117.87 47.68 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.31 1.006 . . . . 0.0 109.184 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' A' ' 97' ' ' ILE . 17.9 Cg_endo -75.17 168.24 25.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.21 1.637 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 91' ' ' PRO . 2.2 p -151.61 177.99 9.78 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 124.95 1.406 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -80.88 -42.28 21.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.968 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -58.87 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.96 166.34 23.45 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.392 1.058 . . . . 0.0 110.69 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER -113.1 -15.81 12.73 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.491 1.119 . . . . 0.0 110.496 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 0.1 OUTLIER 58.27 111.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.091 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.24 156.26 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 28.0 p -89.39 158.17 17.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.333 1.02 . . . . 0.0 110.558 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.866 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -156.97 -151.68 6.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.681 1.238 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -32.8 63.52 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.339 0.67 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.545 ' CD2' HD21 ' A' ' 111' ' ' LEU . 2.7 p80 -118.35 -44.96 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.554 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.909 HG11 ' CB ' ' A' ' 140' ' ' PRO . 6.4 m -60.03 101.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 109.083 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.8 -172.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.514 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.64 63.54 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.814 1.321 . . . . 0.0 109.463 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -95.89 -23.71 16.76 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.627 1.204 . . . . 0.0 109.195 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 89' ' ' VAL . . . 115.4 -12.83 18.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.641 1.213 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -52.92 113.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.68 0.871 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.49 107.16 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.143 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -103.62 42.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 102' ' ' HIS . 4.0 mt -44.18 157.21 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.87 20.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.33 -52.53 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.03 -39.04 93.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -58.58 -51.58 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.99 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.655 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 5.5 t90 -80.81 99.57 8.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.599 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -130.22 5.74 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.599 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.11 164.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.584 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -30.81 5.74 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.03 -0.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.492 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -29.98 -61.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 4.8 m -80.84 162.26 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 177.77 169.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -65.72 -39.56 91.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 27' ' ' ASN . 6.8 mp -59.63 -57.97 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.78 -34.45 70.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.655 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 1.4 mp -59.18 -41.48 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -37.56 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 132' ' ' ILE . 1.4 tt0 -58.91 -54.99 40.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.207 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 1.0 OUTLIER -44.99 -47.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.556 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 24.7 mtt -57.0 -51.0 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 129' ' ' GLN . 1.5 tt -45.47 -32.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' VAL . . . . . 0.478 HG23 HG22 ' A' ' 132' ' ' ILE . 53.0 t -92.26 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.1 t -42.49 -42.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 70' ' ' ILE . 8.2 m-85 -90.07 -29.16 18.54 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.442 1.089 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.27 72.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.393 1.058 . . . . 0.0 111.007 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -26.59 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.73 119.48 0.2 Allowed Pre-proline 0 N--CA 1.45 -0.458 0 O-C-N 124.295 0.997 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 19.1 Cg_endo -74.73 146.32 33.71 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.707 1.898 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.909 ' CB ' HG11 ' A' ' 103' ' ' VAL . 18.2 Cg_endo -74.93 -30.11 7.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.9 m -74.72 125.33 34.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 125.123 1.514 . . . . 0.0 109.22 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 11' ' ' MET . 3.4 tt0 . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -38.14 17.67 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.654 1.221 . . . . 0.0 109.098 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -65.14 -58.5 5.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.8 -20.53 61.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 124.396 1.06 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -76.92 -43.08 36.85 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.742 1.276 . . . . 0.0 111.087 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -106.83 19.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 124.718 1.261 . . . . 0.0 109.349 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.5 m -75.2 -19.57 59.74 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.637 1.211 . . . . 0.0 109.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -82.23 -39.95 22.32 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 124.949 1.406 . . . . 0.0 109.459 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 5.2 m-85 -40.71 132.39 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -50.21 51.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.05 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -94.49 38.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -51.27 -63.3 1.17 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.379 1.05 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.01 -33.79 8.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -49.26 27.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.395 1.06 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -54.98 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.4 t -51.79 -45.38 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -55.71 -53.46 56.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 124' ' ' LEU . 1.2 mp0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.869 1.356 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' HG12 ' A' ' 29' ' ' ILE . 18.5 m -67.86 -52.13 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.54 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -57.59 -36.26 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' CG ' HD11 ' A' ' 125' ' ' LEU . 57.1 t-20 -76.18 -51.99 11.0 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.686 1.241 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG11 HD13 ' A' ' 55' ' ' LEU . 2.3 t -48.24 -43.58 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 26' ' ' VAL . 3.5 pt -76.67 -53.29 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.221 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.6 m -49.5 -40.8 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.47 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD13 HD12 ' A' ' 125' ' ' LEU . 5.5 tt -64.2 -40.31 95.81 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.78 1.3 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -98.25 -172.11 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 32' ' ' TYR . 52.2 mmtt -146.75 55.34 1.12 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.646 1.216 . . . . 0.0 109.462 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -172.81 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.249 0.968 . . . . 0.0 109.47 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.635 HD23 ' CD2' ' A' ' 32' ' ' TYR . 3.6 mm? -62.44 117.64 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.49 145.09 39.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.83 138.67 23.78 Favored 'Trans proline' 0 C--N 1.363 1.31 0 O-C-N 124.34 1.705 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 39' ' ' LEU . 12.4 t -137.82 164.4 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 51' ' ' GLU . 1.6 tm? -129.82 128.89 43.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 0.0 109.219 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.29 121.52 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.697 1.248 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.26 148.41 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 110.277 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -118.37 125.64 50.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.449 -0.486 0 O-C-N 124.292 0.995 . . . . 0.0 109.257 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.36 133.28 38.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.844 1.34 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.677 ' C ' HD22 ' A' ' 52' ' ' LEU . 3.0 pt-20 -86.45 120.02 27.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 110.744 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.677 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.6 mm? -129.48 125.17 35.77 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.189 0.931 . . . . 0.0 109.427 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 148.07 52.39 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 125.063 1.477 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -141.47 137.21 31.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.424 HD13 HG11 ' A' ' 28' ' ' VAL . 15.2 mt -96.62 113.27 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.453 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -119.66 130.16 54.92 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.942 1.402 . . . . 0.0 110.187 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.676 ' O ' HD13 ' A' ' 72' ' ' ILE . . . 178.31 175.44 45.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.4 p -120.38 159.26 25.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.61 145.91 57.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.216 . . . . 0.0 109.027 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.57 119.49 5.76 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.363 1.717 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.74 113.53 33.16 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 124.486 1.116 . . . . 0.0 109.453 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -75.04 108.95 2.84 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.645 1.866 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 t80 -104.65 78.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 85.62 -15.75 0.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.67 -25.32 0.74 Allowed Glycine 0 CA--C 1.527 0.783 0 O-C-N 124.493 1.121 . . . . 0.0 111.172 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -81.02 153.38 27.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.34 0.671 . . . . 0.0 109.356 -179.801 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.8 m -103.26 125.07 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.72 158.25 18.29 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.674 1.234 . . . . 0.0 110.97 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -112.6 76.14 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.394 1.059 . . . . 0.0 109.354 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 139' ' ' PRO . 48.4 mm -66.42 112.99 10.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.71 24.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -143.56 141.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.349 1.031 . . . . 0.0 109.429 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 9.4 t -126.75 145.66 50.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 108.4 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.0 156.71 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.639 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 69.6 m95 -122.24 134.09 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.2 mm? -103.96 167.67 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.998 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -147.24 169.86 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.159 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.53 -36.94 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -166.66 -42.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.485 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -92.18 166.02 18.43 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.55 1.156 . . . . 0.0 111.167 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -75.07 -43.64 0.66 Allowed 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.799 -0.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.27 -63.28 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.59 1.181 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.998 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER 164.39 -51.49 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.285 0.99 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 151.43 39.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.461 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.99 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.34 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 131' ' ' MET . 59.7 m -116.33 129.73 56.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 4.3 p90 -151.55 141.71 22.26 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 97' ' ' ILE . 10.6 m -67.68 176.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.371 1.044 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' CE ' ' HD2' ' A' ' 91' ' ' PRO . 6.5 tptm -139.76 135.73 16.91 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.61 1.194 . . . . 0.0 109.194 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.463 ' HD2' ' CE ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.23 164.31 33.18 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.597 1.84 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -116.86 -151.93 0.49 Allowed 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.94 -56.09 2.3 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.854 1.346 . . . . 0.0 110.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -42.98 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.688 1.242 . . . . 0.0 109.953 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.57 171.29 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.919 HG22 ' O ' ' A' ' 142' ' ' PHE . 13.2 t -119.89 -160.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.569 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 97' ' ' ILE . 2.2 tt -135.4 61.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.272 0.983 . . . . 0.0 109.29 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' HG11 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -39.72 135.5 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.168 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 105' ' ' ALA . 1.2 p -102.49 147.6 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.799 1.312 . . . . 0.0 110.494 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.27 -118.12 0.75 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.711 1.257 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -70.17 0.74 Allowed 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 124.413 0.714 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.97 ' CE1' HG23 ' A' ' 103' ' ' VAL . 11.1 p-80 -73.27 -30.63 63.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.97 HG23 ' CE1' ' A' ' 102' ' ' HIS . 59.8 t -84.92 78.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.407 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.876 1.36 . . . . 0.0 109.415 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 99' ' ' THR . . . -71.73 -34.4 69.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 109.124 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -89.17 14.84 9.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 124.509 1.13 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.628 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 60.46 20.77 56.22 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 124.652 1.22 . . . . 0.0 110.968 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -73.6 133.76 43.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.779 0.929 . . . . 0.0 109.309 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 111' ' ' LEU . 22.1 mm -70.75 95.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.78 31.95 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 109' ' ' ILE . 14.4 mt -44.83 156.29 0.36 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -46.03 -55.23 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.03 -54.64 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -51.36 -52.63 43.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.631 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.53 26.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.511 ' CZ2' ' N ' ' A' ' 122' ' ' SER . 11.9 t90 -131.74 130.23 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.615 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -153.4 74.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.72 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 61.1 170.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.596 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.72 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.8 Cg_endo -74.92 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.075 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.538 ' C ' ' O ' ' A' ' 120' ' ' PRO . 3.5 mt-30 -26.67 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.511 ' N ' ' CZ2' ' A' ' 117' ' ' TRP . 51.6 p -42.96 130.83 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.2 m-20 -178.92 170.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 124' ' ' LEU . 1.8 mm? -56.8 -63.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.674 HD12 HD13 ' A' ' 31' ' ' LEU . 2.6 mm? -49.62 -52.45 30.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.76 -28.58 68.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 123' ' ' ASP . 4.8 mt -71.11 -37.52 72.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 132' ' ' ILE . 15.5 mm -75.61 -18.25 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -54.24 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.8 OUTLIER -55.06 -48.23 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.549 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 8.5 mtt -60.3 -40.92 92.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 128' ' ' ILE . 7.2 mt -58.32 -31.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.49 -60.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' VAL . . . . . 0.526 HG12 ' CD1' ' A' ' 135' ' ' PHE . 3.4 t -42.74 -47.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 131' ' ' MET . 13.2 m-30 -83.96 -28.56 27.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.34 76.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.338 1.023 . . . . 0.0 110.985 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -43.82 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -177.96 138.53 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.565 0 O-C-N 124.351 1.032 . . . . 0.0 110.364 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 20.3 Cg_endo -74.55 151.6 42.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.595 ' HB3' HG21 ' A' ' 103' ' ' VAL . 18.4 Cg_endo -75.22 -32.04 5.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.381 1.727 . . . . 0.0 111.06 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 97' ' ' ILE . 24.9 m -74.48 123.24 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 O-C-N 124.537 1.148 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.919 ' O ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.413 0 O-C-N 124.288 0.993 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.3 -51.39 34.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.74 1.275 . . . . 0.0 109.045 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 12' ' ' VAL . 6.5 ttpt -54.3 -45.92 72.65 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.521 1.138 . . . . 0.0 109.155 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -21.8 64.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.955 1.41 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -37.05 13.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.655 1.222 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 9' ' ' LYS . 17.4 m -99.57 19.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.458 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.831 1.332 . . . . 0.0 109.793 -179.845 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -100.61 -19.45 16.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.867 1.354 . . . . 0.0 109.043 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -61.11 133.6 56.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 111.225 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.67 -37.38 73.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 25.4 m-85 -104.22 25.7 9.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -42.08 -66.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.777 1.298 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.6 -31.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -78.12 -50.5 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -60.42 -48.03 83.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.69 -44.67 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.99 -52.34 63.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.806 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -62.14 -37.31 84.69 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.363 1.039 . . . . 0.0 110.377 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 m -70.01 -37.34 75.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.58 -40.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.347 1.029 . . . . 0.0 109.181 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 3.0 t-20 -72.75 -48.78 35.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.375 1.047 . . . . 0.0 109.255 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 24' ' ' GLU . 24.3 t -47.21 -55.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.77 1.294 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.5 pt -65.43 -52.57 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -47.33 -42.82 22.12 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.755 1.285 . . . . 0.0 110.438 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -40.41 72.92 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.564 1.165 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' OH ' HD11 ' A' ' 132' ' ' ILE . 11.4 m-85 -129.07 109.13 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 111.25 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -83.0 58.27 4.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.81 -48.01 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.236 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.5 125.9 27.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 124.633 1.208 . . . . 0.0 109.262 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 144.46 29.93 Favored Pre-proline 0 N--CA 1.447 -0.594 0 O-C-N 124.529 1.143 . . . . 0.0 109.763 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.69 141.85 28.15 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 O-C-N 124.302 1.685 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 39' ' ' LEU . 45.2 t -130.7 168.12 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.728 1.267 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -140.63 120.94 13.95 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.316 1.01 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.72 115.47 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.943 1.402 . . . . 0.0 109.674 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.6 p -85.56 129.38 34.83 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 124.722 1.264 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -108.6 123.94 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.45 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.412 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.12 0.486 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.734 ' HE ' HD21 ' A' ' 52' ' ' LEU . 5.0 ttp180 -99.78 144.39 28.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.072 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 13.4 mt-10 -95.79 118.35 32.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.306 1.004 . . . . 0.0 110.301 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.734 HD21 ' HE ' ' A' ' 50' ' ' ARG . 4.2 mm? -124.62 135.43 53.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.421 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -99.79 138.76 36.43 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 124.799 1.312 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -123.89 146.1 48.66 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mt -107.04 115.41 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.456 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.3 m -118.14 139.3 51.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.439 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -176.99 172.22 45.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 71' ' ' PRO . 3.1 p -123.93 133.85 53.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.165 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 38.8 pt -106.89 141.37 22.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.8 Cg_endo -74.78 98.56 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.374 1.723 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.67 126.44 28.11 Favored Pre-proline 0 C--N 1.32 -0.714 0 O-C-N 124.313 1.008 . . . . 0.0 109.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.74 147.75 35.58 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.437 1.757 . . . . 0.0 111.079 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -105.14 -55.33 2.34 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 124.769 1.293 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 32.65 0.18 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.415 1.072 . . . . 0.0 110.293 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 132.26 -22.61 4.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -107.59 158.08 17.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.388 0.699 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -99.21 132.12 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.359 1.037 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -115.34 169.53 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 110.924 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -116.65 93.33 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.645 1.215 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.702 HG21 ' HD2' ' A' ' 135' ' ' PHE . 9.4 mm -82.41 114.44 51.45 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.384 1.052 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.3 Cg_endo -74.94 128.5 11.59 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -127.29 146.88 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.1 t -125.01 143.78 50.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.564 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mt -130.9 136.95 49.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.352 1.032 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 51.0 m95 -111.31 139.44 46.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.4 mm? -121.08 166.87 13.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.34 176.51 8.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.473 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.7 OUTLIER -81.99 -32.21 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.815 1.322 . . . . 0.0 109.429 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 174.1 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.503 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -119.36 159.95 43.52 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 124.433 1.083 . . . . 0.0 111.038 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 19.6 Cg_endo -75.19 -52.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.885 0.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.421 ' C ' ' HD2' ' A' ' 84' ' ' PRO . 2.9 m-85 -80.11 115.64 19.79 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.496 1.122 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.5 m120 -52.83 -45.09 97.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -74.97 155.97 43.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.557 ' HB3' HD13 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -74.99 158.38 42.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.422 1.748 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.648 HG23 ' HE3' ' A' ' 108' ' ' LYS . 1.3 mt -96.21 125.01 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.488 ' HB3' HD11 ' A' ' 109' ' ' ILE . 94.3 m -66.28 148.72 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.494 ' N ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER -160.94 159.37 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.528 1.142 . . . . 0.0 111.057 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 107' ' ' GLY . 34.1 m -123.63 154.86 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 O-C-N 124.561 1.163 . . . . 0.0 109.386 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -134.72 64.08 61.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.34 1.025 . . . . 0.0 109.383 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 91' ' ' PRO . . . . . 0.45 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.6 Cg_endo -74.98 -176.2 2.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.596 1.84 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.1 p -105.9 -175.2 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.801 1.313 . . . . 0.0 110.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -22.25 22.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.41 -7.48 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 142' ' ' PHE . 58.6 ttm -92.52 -32.95 14.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 124.778 1.299 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 97' ' ' ILE . 73.1 m 66.86 172.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.237 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -138.21 105.04 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.709 1.256 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 142' ' ' PHE . 2.2 mmtt -72.72 86.49 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.149 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 104' ' ' ASP . 6.0 p -44.11 138.95 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.447 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.91 -150.21 5.41 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 125.013 1.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -70.33 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.669 ' CE1' HG23 ' A' ' 103' ' ' VAL . 9.9 p80 -76.75 -51.28 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.669 HG23 ' CE1' ' A' ' 102' ' ' HIS . 87.7 t -55.08 90.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.345 1.028 . . . . 0.0 109.207 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' HIS . 2.7 t0 -65.37 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.468 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.32 -15.88 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.217 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -110.67 5.55 21.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.359 1.037 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.962 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 71.42 41.1 59.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.632 1.208 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . 0.648 ' HE3' HG23 ' A' ' 86' ' ' ILE . 1.4 tttp -104.77 57.95 0.7 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.425 0.721 . . . . 0.0 109.158 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -39.61 106.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 O-C-N 124.297 0.998 . . . . 0.0 109.074 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 41.9 p90 -113.55 59.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 111' ' ' LEU . 3.9 mp -47.65 153.41 1.07 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.64 21.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -46.91 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.19 -31.96 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.69 -37.89 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.3 29.08 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.703 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 7.3 t90 -80.77 117.52 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -125.43 70.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.224 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.528 ' HA ' ' C ' ' A' ' 120' ' ' PRO . 25.1 p-80 -35.07 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.91 2.77 14.38 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.042 -0.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.0 mp0 -30.06 -69.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.703 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -93.11 -177.14 4.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -172.63 164.17 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.75 HD23 ' HG2' ' A' ' 24' ' ' GLU . 1.7 mm? -55.34 -50.7 68.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 125' ' ' LEU . 7.4 mp -55.18 -54.54 42.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.36 -37.69 88.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -69.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 0.811 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.15 -22.64 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -61.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -44.93 -49.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.503 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 61.8 mtt -51.04 -57.45 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.706 HD11 ' OH ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -45.79 -28.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.8 t -90.23 -62.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 37.6 t -45.61 -40.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.702 ' HD2' HG21 ' A' ' 70' ' ' ILE . 6.2 m-85 -84.58 -33.31 23.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.519 1.137 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.62 -21.05 66.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.72 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.86 157.16 5.11 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.702 1.252 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.83 113.98 3.92 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.508 1.794 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.73 35.69 0.41 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.553 1.817 . . . . 0.0 111.258 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -132.85 -56.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.561 0 O-C-N 124.223 0.952 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.2 tp60 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.682 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -43.15 -56.55 3.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.207 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -60.03 -35.39 75.0 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.574 1.171 . . . . 0.0 109.177 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -65.2 -44.73 87.41 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.457 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -64.47 -44.31 91.44 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 124.258 0.974 . . . . 0.0 111.167 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 8' ' ' LEU . 27.4 m -83.32 1.02 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.626 1.204 . . . . 0.0 109.73 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -62.74 -21.58 65.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -101.08 -28.11 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 124.324 1.015 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -53.34 117.41 3.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -68.38 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.517 1.135 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -81.79 49.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.78 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.89 -60.26 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.133 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' ARG . 31.4 t70 -38.85 -39.02 0.48 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.22 14.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.597 HG23 ' CD2' ' A' ' 76' ' ' LEU . 41.5 m -55.46 -55.03 36.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.541 ' CG2' HG21 ' A' ' 12' ' ' VAL . 7.0 t -53.0 -42.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 124.641 1.213 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -67.51 -47.92 68.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.382 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' OE1' HD13 ' A' ' 124' ' ' LEU . 11.7 mt-10 -60.48 -46.09 91.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -61.43 -32.2 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -71.15 -41.98 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 124.648 1.217 . . . . 0.0 109.408 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.637 ' ND2' HD21 ' A' ' 125' ' ' LEU . 16.1 t-20 -68.17 -51.94 40.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.657 HG21 HD23 ' A' ' 124' ' ' LEU . 12.0 t -44.54 -59.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 124.624 1.202 . . . . 0.0 109.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -62.86 -56.91 14.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 14.0 m -43.11 -45.64 5.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.494 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -46.09 71.95 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.756 1.285 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.96 115.73 16.9 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.1 54.62 3.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.908 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.14 -45.81 1.12 Allowed 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.564 1.165 . . . . 0.0 109.193 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.15 110.08 1.73 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.62 116.92 66.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.143 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.85 134.11 17.66 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 39' ' ' LEU . 22.6 t -132.36 169.12 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -137.5 106.49 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.95 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -121.75 135.79 54.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.832 1.332 . . . . 0.0 109.308 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -96.67 137.84 35.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.77 1.294 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.15 147.54 50.82 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.245 0.965 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.704 1.253 . . . . 0.0 109.074 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -152.22 159.92 43.47 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.658 1.224 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.944 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -113.25 122.87 48.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.297 0.998 . . . . 0.0 110.254 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.944 HD22 ' C ' ' A' ' 51' ' ' GLU . 2.6 mm? -131.29 148.64 52.7 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.837 1.335 . . . . 0.0 109.337 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 ttp -92.94 137.16 32.61 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.722 1.264 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 2.2 p-10 -122.87 118.48 28.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 37' ' ' PRO . 17.8 mt -88.88 103.19 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 m -109.74 111.18 22.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.505 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.62 -175.33 21.8 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 71' ' ' PRO . 7.5 p -137.4 121.94 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.665 0.862 . . . . 0.0 110.277 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 60' ' ' PRO . 49.6 mt -88.82 142.37 30.52 Favored Pre-proline 0 N--CA 1.449 -0.479 0 O-C-N 124.637 1.211 . . . . 0.0 109.519 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.7 Cg_endo -74.44 118.44 5.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.508 1.794 . . . . 0.0 111.293 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 68' ' ' TYR . 25.5 t -144.86 101.92 4.54 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -75.05 147.7 34.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -95.39 -38.91 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.592 1.183 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.18 -76.65 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.0 4.8 9.04 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.645 1.215 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -127.16 146.41 50.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 0.724 . . . . 0.0 109.422 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.0 m -89.13 129.89 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.693 1.246 . . . . 0.0 110.282 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.458 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.3 t80 -100.49 162.75 12.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.667 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -115.04 86.33 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.712 HG21 ' HD2' ' A' ' 135' ' ' PHE . 18.1 mm -73.11 114.05 27.52 Favored Pre-proline 0 C--N 1.321 -0.634 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.0 Cg_endo -75.11 136.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.42 1.747 . . . . 0.0 110.861 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.07 148.07 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.112 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 42.2 t -128.14 148.61 50.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 108.453 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -134.79 127.15 30.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.166 0.916 . . . . 0.0 109.392 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TRP . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 67.0 m95 -100.19 144.66 28.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 52' ' ' LEU . 1.4 mp -119.77 163.32 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.981 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -137.9 176.95 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.083 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -94.84 -28.23 15.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.449 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.524 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.4 m-85 -97.57 168.14 10.63 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.88 -35.34 2.95 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.107 -0.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' TYR . . . . . 0.422 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 38.7 m-85 -97.22 -65.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASN . . . . . 0.981 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.4 m-20 162.19 -50.89 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.588 1.18 . . . . 0.0 109.1 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.07 151.35 39.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.98 170.78 19.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -104.17 156.66 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' CYS . . . . . 0.576 ' HB3' ' HE1' ' A' ' 131' ' ' MET . 60.9 m -128.76 134.77 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 2.5 p90 -164.28 147.27 9.22 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 124.637 1.211 . . . . 0.0 111.047 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 97' ' ' ILE . 7.6 p -73.55 159.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.29 0.994 . . . . 0.0 109.238 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.95 97.5 50.76 Favored Pre-proline 0 N--CA 1.447 -0.603 0 O-C-N 124.308 1.005 . . . . 0.0 109.249 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.57 149.27 38.6 Favored 'Trans proline' 0 C--N 1.357 0.978 0 O-C-N 124.798 1.946 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.3 p -115.96 -142.25 0.38 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.318 1.011 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 m -100.32 -45.23 5.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -38.15 58.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.605 1.19 . . . . 0.0 109.741 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -176.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 124.619 1.2 . . . . 0.0 110.706 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 142' ' ' PHE . 10.9 t -147.42 -154.4 0.55 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 124.603 1.189 . . . . 0.0 110.161 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -165.53 117.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.716 1.26 . . . . 0.0 109.208 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 89.4 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.4 p -44.42 135.62 4.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.433 1.083 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.91 -137.81 2.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.639 1.212 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -71.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.552 0.795 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' HIS . . . . . 0.68 ' CE1' HG23 ' A' ' 103' ' ' VAL . 18.9 p-80 -74.46 -20.12 60.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.68 HG23 ' CE1' ' A' ' 102' ' ' HIS . 40.7 t -98.32 70.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 124.658 1.224 . . . . 0.0 109.451 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -53.1 -177.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.652 1.22 . . . . 0.0 109.324 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.92 62.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.723 1.264 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -104.59 17.19 24.6 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLY . . . . . 0.482 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 56.46 19.57 26.81 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.65 125.7 29.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 109' ' ' ILE . 27.1 mm -60.98 102.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 124.636 1.21 . . . . 0.0 109.342 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 34.19 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.6 mt -46.36 151.53 0.97 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -42.76 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -61.09 -43.12 99.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -51.38 -45.03 62.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 115' ' ' HIS . . . . . 0.55 ' N ' HD23 ' A' ' 114' ' ' LEU . 48.7 t60 -58.09 -54.88 42.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.99 33.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' TRP . . . . . 0.795 ' HE1' ' N ' ' A' ' 122' ' ' SER . 6.0 t90 -131.1 119.44 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.046 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 164.3 25.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' HIS . . . . . 0.726 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -61.46 171.13 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.544 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 120' ' ' PRO . . . . . 0.726 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.06 -16.56 21.15 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.4 mp0 -37.55 -52.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.795 ' N ' ' HE1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER -59.74 139.19 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 122' ' ' SER . 51.1 m-20 -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.657 HD23 HG21 ' A' ' 28' ' ' VAL . 6.0 mp -55.87 -62.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.637 HD21 ' ND2' ' A' ' 27' ' ' ASN . 3.4 mp -50.29 -55.59 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.14 -42.73 82.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 129' ' ' GLN . 1.7 mt -62.23 -66.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' LEU . 44.6 mm -39.73 -29.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 127' ' ' LEU . 8.5 tt0 -61.49 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -43.52 -50.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 131' ' ' MET . . . . . 0.576 ' HE1' ' HB3' ' A' ' 87' ' ' CYS . 18.9 mtt -58.66 -53.07 62.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.7 mt -45.25 -31.2 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -92.36 -63.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 t -41.86 -44.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' PHE . . . . . 0.712 ' HD2' HG21 ' A' ' 70' ' ' ILE . 9.6 m-85 -86.81 -31.53 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.5 -29.11 68.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.388 1.055 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.56 -35.05 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.82 157.55 1.17 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.38 119.47 5.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.415 1.745 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' PRO . . . . . 0.542 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 18.9 Cg_endo -74.61 0.8 8.24 Favored 'Trans proline' 0 C--N 1.364 1.349 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' VAL . . . . . 0.505 HG22 HG21 ' A' ' 89' ' ' VAL . 93.7 t -87.94 -101.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 96' ' ' THR . 2.4 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.276 0.985 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.735 HG22 ' HB3' ' A' ' 7' ' ' GLN . 3.2 p -164.52 34.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.416 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER 48.69 177.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 O-C-N 125.196 1.56 . . . . 0.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -92.46 -23.17 19.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 124.406 1.066 . . . . 0.0 110.49 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.52 -36.63 32.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.438 1.086 . . . . 0.0 109.549 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.735 ' HB3' HG22 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -83.85 -34.15 24.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.839 1.337 . . . . 0.0 110.291 -179.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.553 ' HB2' HG13 ' A' ' 3' ' ' VAL . 32.1 tp -62.09 -48.38 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.767 1.292 . . . . 0.0 109.294 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.638 ' HA ' HG22 ' A' ' 12' ' ' VAL . 63.1 mttt -65.58 -42.34 91.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -55.57 -26.33 42.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.64 ' CE ' HG21 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -82.85 -32.86 27.28 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 124.55 1.156 . . . . 0.0 110.812 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.831 HG23 ' HG3' ' A' ' 18' ' ' ARG . 15.5 m -105.28 20.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.261 0.976 . . . . 0.0 108.895 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 t -74.34 -19.32 60.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.914 1.384 . . . . 0.0 110.31 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -34.48 33.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.298 0.999 . . . . 0.0 109.171 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.83 145.98 23.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -46.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.085 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 79' ' ' THR . 22.9 m-30 -90.94 27.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.831 ' HG3' HG23 ' A' ' 12' ' ' VAL . 3.8 tmm_? -44.05 -59.49 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.434 1.084 . . . . 0.0 110.093 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -47.04 -36.65 8.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.71 -38.27 54.65 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.823 1.327 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -64.82 -53.04 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.2 t -53.12 -45.46 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -55.49 -53.86 51.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.547 1.154 . . . . 0.0 110.442 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.75 -45.41 82.04 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.695 1.247 . . . . 0.0 110.264 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.525 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -41.96 -43.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.821 1.326 . . . . 0.0 109.294 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.577 ' OD1' HD11 ' A' ' 125' ' ' LEU . 6.3 t-20 -70.15 -54.71 11.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.197 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.76 -56.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.303 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.2 pt -63.5 -56.47 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 0.0 109.147 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.7 m -44.44 -45.13 8.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.047 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD13 HD21 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -69.59 -51.07 38.59 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.231 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -125.95 112.96 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -82.4 54.77 2.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.5 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.53 -52.05 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 29' ' ' ILE . 4.6 mm? -65.15 115.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.71 142.42 24.57 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.34 1.025 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.47 137.16 22.6 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 O-C-N 124.212 1.638 . . . . 0.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 39' ' ' LEU . 15.8 t -134.94 164.71 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.793 1.308 . . . . 0.0 109.525 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.4 tm? -138.15 121.75 17.38 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.326 1.016 . . . . 0.0 109.19 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -137.92 131.05 30.33 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.932 1.395 . . . . 0.0 109.195 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -101.74 157.98 16.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.4 1.062 . . . . 0.0 109.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -154.0 145.75 23.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.625 1.203 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 m -61.2 -173.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.696 1.248 . . . . 0.0 109.47 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.8 m-85 -154.39 134.65 13.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.93 -77.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.705 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' PHE . 23.8 t70 -174.72 42.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.141 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.42 -60.33 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.46 1.1 . . . . 0.0 110.94 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' PHE . 52.8 m -45.91 169.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.63 0.841 . . . . 0.0 110.114 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 t -167.42 141.51 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.04 0.838 . . . . 0.0 109.797 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -136.59 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 124.641 1.213 . . . . 0.0 110.177 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.884 ' C ' HD22 ' A' ' 52' ' ' LEU . 47.6 mt-10 -112.61 123.12 49.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 110.069 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.884 HD22 ' C ' ' A' ' 51' ' ' GLU . 2.7 mm? -128.31 135.86 50.19 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.382 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 ptm -96.46 142.59 28.38 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -124.39 153.19 42.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.405 1.066 . . . . 0.0 109.257 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.29 107.99 17.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 m -112.22 129.76 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' N ' HD13 ' A' ' 35' ' ' LEU . . . -166.0 -172.69 33.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 71' ' ' PRO . 21.9 p -136.66 138.0 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 0.718 . . . . 0.0 110.683 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.559 HG23 ' HD2' ' A' ' 60' ' ' PRO . 9.0 mm -116.01 138.32 24.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.372 1.045 . . . . 0.0 109.387 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.34 116.17 4.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.538 1.809 . . . . 0.0 110.759 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.618 ' HB ' HD12 ' A' ' 70' ' ' ILE . 2.9 t -116.28 95.79 46.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.534 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.76 147.28 34.83 Favored 'Trans proline' 0 C--N 1.356 0.941 0 O-C-N 124.32 1.695 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CZ ' ' CD ' ' A' ' 64' ' ' ARG . 65.7 t80 -153.22 127.1 8.91 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.447 1.092 . . . . 0.0 111.206 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.556 ' CD ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 60.93 19.95 10.28 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.444 1.09 . . . . 0.0 110.21 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 11.12 60.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.399 1.062 . . . . 0.0 110.994 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.451 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 3.1 m120 -101.78 -177.39 3.41 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.552 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -133.42 124.57 27.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -118.39 157.01 27.97 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.25 0.969 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -120.54 93.74 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.618 HD12 ' HB ' ' A' ' 61' ' ' VAL . 17.5 mt -100.58 110.74 61.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HB3' HG22 ' A' ' 58' ' ' THR . 18.4 Cg_endo -74.98 162.65 36.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 124.624 1.855 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.41 HG23 ' C ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -152.72 138.86 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 O-C-N 124.319 1.012 . . . . 0.0 109.437 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 29.0 t -118.38 144.53 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 108.44 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.55 156.8 41.65 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.838 1.336 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.74 ' C ' HD22 ' A' ' 76' ' ' LEU . 52.2 m95 -125.23 141.9 51.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 108.009 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.74 HD22 ' C ' ' A' ' 75' ' ' TRP . 1.7 mm? -120.0 168.65 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -144.45 168.16 20.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 124.813 1.321 . . . . 0.0 109.273 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.53 -36.69 38.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.455 1.097 . . . . 0.0 109.418 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.484 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 5.4 t -174.4 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.455 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.597 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -122.77 165.35 22.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.007 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.597 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 19.4 Cg_endo -74.96 -48.58 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.132 -0.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.42 108.75 18.63 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.603 1.189 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.766 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.2 t30 -42.06 -51.0 10.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.173 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 148.83 35.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.564 1.823 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.623 ' HB3' HD13 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.99 166.61 28.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.13 141.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 p -113.92 137.67 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 2.5 p90 -162.86 144.21 9.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 124.437 1.086 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.607 HG13 HD11 ' A' ' 97' ' ' ILE . 7.2 p -83.46 140.97 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.356 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 118.38 58.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.666 1.229 . . . . 0.0 109.201 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.75 154.33 43.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.35 1.711 . . . . 0.0 111.04 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.6 p -101.28 -164.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.225 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.16 -38.44 7.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -50.82 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -176.25 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.265 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 141' ' ' VAL . 0.2 OUTLIER -136.73 175.14 9.89 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.656 1.223 . . . . 0.0 110.297 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.607 HD11 HG13 ' A' ' 89' ' ' VAL . 4.2 tt -125.4 103.95 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 142' ' ' PHE . 0.4 OUTLIER -94.89 37.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.458 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.423 ' HA ' HG12 ' A' ' 103' ' ' VAL . 1.8 p 43.24 -167.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.77 179.59 42.08 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 124.834 1.334 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -41.66 13.32 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.703 0.884 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.979 ' NE2' HG11 ' A' ' 134' ' ' VAL . 3.3 p80 -115.51 -35.72 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.655 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 99' ' ' THR . 71.2 t -58.13 97.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 124.686 1.241 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.57 -174.93 1.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.45 -21.05 65.57 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.923 1.389 . . . . 0.0 109.054 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -94.51 9.51 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 68.65 9.9 59.73 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -77.15 147.5 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.68 0.871 . . . . 0.0 109.162 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.541 ' CD1' ' CE ' ' A' ' 131' ' ' MET . 1.3 mp -87.03 100.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.295 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.64 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HG ' ' CG ' ' A' ' 102' ' ' HIS . 19.2 mt -64.84 148.53 97.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -74.93 -24.26 13.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -78.46 -22.9 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.19 -58.2 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -50.72 -40.16 53.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.13 37.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.6 t90 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -123.78 75.63 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -40.89 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.03 1.78 15.58 Favored 'Cis proline' 0 C--N 1.359 1.091 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.977 -0.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 120' ' ' PRO . 61.1 mm-40 -34.89 -63.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.64 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.09 170.9 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.28 174.86 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -70.33 -44.82 67.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.577 HD11 ' OD1' ' A' ' 27' ' ' ASN . 7.4 mp -48.42 -52.31 22.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.73 -46.57 74.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.24 -34.6 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.1 mp -84.9 -33.55 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.598 ' O ' HG22 ' A' ' 132' ' ' ILE . 2.1 tt0 -61.18 -57.49 12.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 131' ' ' MET . 2.6 p -43.88 -50.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.541 ' CE ' ' CD1' ' A' ' 109' ' ' ILE . 18.6 mtt -54.23 -54.0 45.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 129' ' ' GLN . 0.9 OUTLIER -45.39 -29.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -86.95 -61.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.979 HG11 ' NE2' ' A' ' 102' ' ' HIS . 25.8 t -47.41 -49.84 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 70' ' ' ILE . 4.6 m-85 -71.58 -34.41 69.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.456 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -69.79 -5.76 53.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.96 -40.53 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.387 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -145.26 118.84 5.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 110.322 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.28 113.74 3.84 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.772 1.933 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 19.0 Cg_endo -75.15 -9.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 96' ' ' THR . 13.2 t -77.19 -67.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 143' ' ' SER . 0.3 OUTLIER 56.35 162.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.578 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 1.4 p -178.35 41.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.431 1.082 . . . . 0.0 109.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.43 86.21 17.63 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.349 1.031 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.356 0.952 0 O-C-N 124.604 1.844 . . . . 0.0 110.995 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.427 ' C ' HG22 ' A' ' 3' ' ' VAL . . . . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 2' ' ' ALA . 24.3 m 41.65 47.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.674 1.234 . . . . 0.0 109.576 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.1 p -144.51 165.45 27.93 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.384 1.053 . . . . 0.0 110.187 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -29.61 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.211 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -48.88 73.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.493 1.12 . . . . 0.0 110.123 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -69.12 -56.64 7.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.663 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -43.24 -40.11 3.28 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 125.091 1.494 . . . . 0.0 109.135 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' SER . 12.0 tttm -62.5 -48.6 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.428 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLN . 32.0 tttt -62.96 -22.65 66.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.29 0.994 . . . . 0.0 109.572 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mmt -81.72 -32.29 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.981 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 m -108.61 14.88 8.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.202 0.939 . . . . 0.0 109.481 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.7 m -76.55 -26.63 55.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.72 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -26.07 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.105 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -55.26 122.25 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -56.01 25.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.079 . . . . 0.0 108.886 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.71 ' CE2' ' ND2' ' A' ' 83' ' ' ASN . 28.5 m-85 -91.6 38.62 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.772 1.295 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -60.95 -31.05 70.62 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.606 1.191 . . . . 0.0 110.331 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 34.0 m-20 -67.0 -42.93 84.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.702 1.251 . . . . 0.0 109.118 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.27 -33.56 69.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -75.25 -53.53 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.49 -44.08 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 O-C-N 124.548 1.155 . . . . 0.0 109.085 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -49.05 73.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.07 -37.54 85.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.261 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 HD13 ' A' ' 29' ' ' ILE . 4.0 m -68.21 -59.45 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.466 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.558 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.18 -40.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.415 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 38.9 t-20 -74.81 -56.19 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -44.07 -48.91 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.301 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.558 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.9 pt -70.89 -53.93 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -47.82 -42.58 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.039 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -46.95 28.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.629 1.206 . . . . 0.0 109.24 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -114.39 116.21 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.49 -30.59 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.861 1.351 . . . . 0.0 108.77 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -34.36 69.12 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 32' ' ' TYR . 2.6 mm? -71.89 128.96 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 109.423 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.83 118.5 25.79 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 136.17 20.17 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.607 1.846 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 39' ' ' LEU . 15.3 t -134.4 165.73 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.4 tm? -125.65 109.88 13.14 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.0 131.24 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.697 1.248 . . . . 0.0 109.0 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -85.18 117.1 23.92 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 124.635 1.209 . . . . 0.0 110.082 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.45 123.93 28.48 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.394 1.059 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 48' ' ' SER . 14.3 m -90.21 141.42 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.362 1.039 . . . . 0.0 109.315 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -90.66 68.67 6.57 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.586 1.179 . . . . 0.0 111.151 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 2.5 m120 57.41 34.23 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.316 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 75.82 26.44 1.05 Allowed 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.446 1.091 . . . . 0.0 109.191 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.83 -15.69 19.54 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 124.744 1.277 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 30.3 t -176.04 179.14 1.34 Allowed 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 124.29 0.641 . . . . 0.0 110.238 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 p -150.37 104.92 3.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.227 0.955 . . . . 0.0 109.797 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -112.11 128.11 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.169 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' O ' HD22 ' A' ' 52' ' ' LEU . 2.3 mp0 -72.61 110.62 7.11 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.291 0.995 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 51' ' ' GLU . 4.6 mm? -126.91 146.67 50.21 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.534 1.146 . . . . 0.0 109.535 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.23 139.24 32.49 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.949 1.406 . . . . 0.0 111.0 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -124.6 139.65 53.67 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 mt -106.76 112.26 25.15 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -120.28 128.26 53.14 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 125.029 1.455 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.89 165.29 38.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 71' ' ' PRO . 20.7 p -119.34 141.96 48.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 0.719 . . . . 0.0 110.221 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 2.2 pt -115.43 148.35 40.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 O-C-N 124.93 1.394 . . . . 0.0 108.825 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.21 127.41 10.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 61' ' ' VAL . 3.3 t -131.77 98.39 17.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 124.262 0.976 . . . . 0.0 109.554 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 17.8 Cg_endo -75.24 128.42 11.29 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -100.28 -61.71 1.33 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.349 1.03 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.95 60.76 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.332 1.02 . . . . 0.0 110.286 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.79 -19.05 53.88 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.742 1.276 . . . . 0.0 111.023 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -104.78 156.26 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.1 m -115.43 130.23 56.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.781 1.301 . . . . 0.0 110.358 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.76 155.8 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -115.78 86.72 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.545 1.153 . . . . 0.0 109.219 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.11 114.08 29.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.3 Cg_endo -74.84 128.82 11.93 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.507 1.793 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.15 138.93 48.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 124.914 1.384 . . . . 0.0 109.064 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 4.4 t -122.74 140.93 52.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.366 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.14 153.86 51.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.801 1.313 . . . . 0.0 109.529 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 87.9 m95 -125.73 126.43 44.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.9 mm? -90.22 170.56 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.005 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -150.6 166.67 29.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 124.58 1.175 . . . . 0.0 109.57 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.3 m-20 -94.99 -35.36 12.0 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.602 1.189 . . . . 0.0 109.112 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -166.63 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -83.62 162.27 53.67 Favored Pre-proline 0 N--CA 1.452 -0.37 0 O-C-N 124.585 1.178 . . . . 0.0 111.371 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 -41.68 0.96 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.11 -2.454 . . . . 0.0 110.893 -0.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -103.22 -51.73 3.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 124.417 1.073 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.005 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.1 OUTLIER 164.91 -51.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.0 144.48 30.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.828 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.5 Cg_endo -74.99 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.5 141.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.6 m -122.26 117.12 25.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 2.6 p90 -153.21 154.27 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -82.43 167.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -144.82 93.02 5.71 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 124.846 1.341 . . . . 0.0 109.244 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.0 Cg_endo -75.23 158.02 41.53 Favored 'Trans proline' 0 C--N 1.363 1.337 0 O-C-N 124.003 1.528 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.8 p -94.85 -164.39 1.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.871 1.357 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -49.0 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.778 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -64.26 -54.75 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 110.743 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.772 HG21 ' HB2' ' A' ' 143' ' ' SER . 10.1 t -158.75 -162.46 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.479 HD12 ' HG3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -150.61 133.49 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.521 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 41.17 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 105' ' ' ALA . 66.5 p 42.74 -165.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.353 1.033 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.56 177.32 38.38 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 124.434 1.084 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -43.66 94.72 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 125.203 1.178 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.453 ' CB ' ' HG ' ' A' ' 111' ' ' LEU . 7.4 m-70 -126.72 33.21 5.0 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.164 . . . . 0.0 109.672 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 t -115.68 -5.7 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.191 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.04 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.433 ' HA ' HG22 ' A' ' 99' ' ' THR . . . -104.28 -20.63 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.624 1.203 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -104.04 36.23 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.558 1.161 . . . . 0.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 45.55 43.47 10.91 Favored Glycine 0 CA--C 1.533 1.16 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -109.02 147.64 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.679 0.87 . . . . 0.0 109.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.525 HG23 HD12 ' A' ' 111' ' ' LEU . 1.4 mp -81.26 101.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 33.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.525 HD12 HG23 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -61.08 149.83 80.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.446 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.3 Cg_endo -74.95 -22.66 14.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -77.97 -26.41 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.45 HD22 HG22 ' A' ' 109' ' ' ILE . 18.2 tp -80.72 -62.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.0 t-80 -46.19 -42.14 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.85 40.45 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.645 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.8 t90 -81.29 111.57 17.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -119.08 71.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.51 ' HA ' ' C ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -40.54 159.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.94 1.5 15.54 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 120' ' ' PRO . 49.2 mm-40 -35.48 -64.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.645 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.1 168.63 10.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.908 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 127' ' ' LEU . 1.6 m-20 -167.32 166.11 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.421 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -60.08 -45.17 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 125' ' ' LEU . 3.5 mm? -56.43 -62.37 1.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.51 -21.7 28.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -74.1 -71.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.3 mp -39.69 -30.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.438 ' N ' ' C ' ' A' ' 127' ' ' LEU . 4.6 tm0? -57.93 -56.62 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -52.34 -44.18 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.476 ' CE ' HG12 ' A' ' 109' ' ' ILE . 30.4 mtt -61.33 -53.11 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 32' ' ' TYR . 1.6 mt -45.08 -32.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -91.08 -62.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 t -41.93 -45.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 61' ' ' VAL . 15.2 m-85 -83.71 -32.25 25.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.54 -15.03 56.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.316 1.01 . . . . 0.0 110.957 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.62 -50.5 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.2 150.01 10.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 124.658 1.224 . . . . 0.0 110.28 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.57 7.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 -12.8 21.2 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.49 1.784 . . . . 0.0 110.721 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 21.4 m -101.42 128.41 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.567 1.167 . . . . 0.0 109.202 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 96' ' ' THR . 36.6 t80 -178.75 173.58 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.849 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.772 ' HB2' HG21 ' A' ' 96' ' ' THR . 0.1 OUTLIER -129.4 56.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 124.618 1.199 . . . . 0.0 109.958 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.446 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . 0.4 OUTLIER -56.96 150.71 37.56 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.654 1.87 . . . . 0.0 111.287 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -135.07 19.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 79.61 143.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 125.005 1.441 . . . . 0.0 109.677 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -50.24 -27.87 6.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.496 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -46.62 87.05 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.362 1.039 . . . . 0.0 109.934 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 3' ' ' VAL . 8.8 tp60 -71.94 -50.22 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 37' ' ' PRO . 1.8 tp -45.74 -38.67 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.566 1.166 . . . . 0.0 109.161 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -65.98 -54.34 27.45 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.74 1.275 . . . . 0.0 109.188 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.03 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.769 1.293 . . . . 0.0 109.103 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.595 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.7 mmt -69.14 -48.58 62.01 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 0.0 111.131 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 m -86.85 8.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.872 1.357 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 t -75.51 -3.73 35.73 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.543 1.152 . . . . 0.0 109.683 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -99.44 -32.59 11.07 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.986 1.429 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 1.9 m-85 -45.7 128.07 8.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.166 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -44.53 69.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.315 1.009 . . . . 0.0 109.057 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -87.92 -64.41 1.15 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.082 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 17' ' ' TYR . 2.3 ttt180 66.65 -66.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.663 1.227 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' TYR . 11.4 t70 -45.51 -44.69 12.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.451 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . 1.9 tt -67.94 -53.2 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.52 HG22 ' CE ' ' A' ' 53' ' ' MET . 17.0 m -53.58 -55.35 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -57.89 -42.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 O-C-N 124.669 1.231 . . . . 0.0 108.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -54.26 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.911 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.0 tt0 -66.46 -28.85 68.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.314 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -74.31 -36.11 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -69.5 -39.47 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.42 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.706 HD21 HD21 ' A' ' 125' ' ' LEU . 6.6 t-20 -68.37 -58.2 4.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.62 1.2 . . . . 0.0 109.208 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 24' ' ' GLU . 72.9 t -39.81 -58.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 26' ' ' VAL . 3.0 pt -62.97 -56.11 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.208 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -42.79 -45.21 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.295 0.997 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.728 ' HG ' HD23 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -77.97 -36.43 49.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ILE . 95.2 m-85 -134.74 84.69 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -56.7 -38.78 72.76 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -40.7 -38.12 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.56 1.162 . . . . 0.0 108.933 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 72' ' ' ILE . 8.5 mp -75.58 128.89 36.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 134.63 22.41 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 124.529 1.143 . . . . 0.0 109.678 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HB2' HD21 ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.97 138.76 23.54 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.03 157.02 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 109.436 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD12 ' CE ' ' A' ' 11' ' ' MET . 3.1 tm? -117.3 97.95 6.17 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.603 1.19 . . . . 0.0 109.122 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -104.3 124.98 50.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.301 1.0 . . . . 0.0 109.405 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 p -106.72 138.83 42.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.022 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -150.32 177.36 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.085 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' ASN . 1.4 m -118.74 141.1 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.6 m-85 -68.49 60.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.767 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.9 t-20 69.43 -60.03 0.47 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER -145.54 -40.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 124.793 1.308 . . . . 0.0 109.596 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -24.83 -72.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.709 1.256 . . . . 0.0 110.817 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.2 t -178.33 -178.7 0.64 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.314 0.655 . . . . 0.0 110.281 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -92.39 147.55 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.043 . . . . 0.0 110.051 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -148.97 158.95 44.57 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.011 1.444 . . . . 0.0 110.665 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.552 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.8 mp0 -108.79 115.48 30.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.8 mm? -119.61 146.53 45.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.546 ' O ' HD23 ' A' ' 76' ' ' LEU . 27.7 ttp -95.51 109.68 21.86 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.55 1.157 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -96.49 138.84 33.47 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 124.432 1.083 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 37' ' ' PRO . 8.2 mt -104.48 134.34 47.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.353 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -136.32 123.92 22.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.615 1.197 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 177.78 39.04 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 p -127.81 153.33 46.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 0.69 . . . . 0.0 110.15 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.719 HG23 ' HD2' ' A' ' 60' ' ' PRO . 18.0 mt -121.69 142.1 35.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.6 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 59' ' ' ILE . 19.2 Cg_endo -74.64 102.25 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.429 1.752 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.551 HG13 ' HA2' ' A' ' 136' ' ' GLY . 49.7 t -117.24 107.68 45.0 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 124.355 1.034 . . . . 0.0 109.421 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.363 1.301 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -118.89 -63.4 1.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -149.1 64.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.288 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.93 -13.39 67.21 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.388 1.055 . . . . 0.0 110.987 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 7.3 m-20 -107.71 169.07 8.82 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.6 0.824 . . . . 0.0 109.158 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -125.84 119.19 27.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.81 1.319 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.78 164.75 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -119.57 86.94 2.65 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.357 1.035 . . . . 0.0 109.416 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 1.024 HG21 ' CD2' ' A' ' 135' ' ' PHE . 26.7 mm -69.6 113.61 18.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.28 128.06 10.97 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.415 1.745 . . . . 0.0 111.221 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.574 HD11 HD21 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -124.79 150.15 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.525 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -129.6 146.82 51.37 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.122 . . . . 0.0 108.465 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -136.03 157.5 46.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.382 1.051 . . . . 0.0 109.398 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -131.79 136.78 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 107.979 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 53' ' ' MET . 4.6 mm? -102.8 175.38 5.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.924 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -149.17 171.6 16.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 83.8 m-20 -92.28 -36.65 13.1 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 t -166.36 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.547 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -91.34 168.54 13.27 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.7 Cg_endo -74.96 -35.6 2.87 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.05 0.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 13.1 m-85 -103.65 -57.05 2.1 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.384 1.052 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.924 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.6 m-20 160.55 -49.91 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 154.05 42.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.467 ' HB2' HD23 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -75.04 168.37 24.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.513 HG21 ' HE3' ' A' ' 108' ' ' LYS . 3.7 mp -104.47 139.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.9 m -87.84 138.51 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -145.03 177.92 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.82 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 107' ' ' GLY . 6.2 p -135.3 150.49 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.159 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -121.55 91.58 48.46 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.703 ' HG3' HD13 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.76 160.15 41.21 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.754 1.923 . . . . 0.0 110.966 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 p -105.83 -176.5 3.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -76.91 -53.61 7.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -41.93 31.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.61 174.08 6.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.456 1.097 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.0 p -129.22 -171.36 2.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.703 HD13 ' HG3' ' A' ' 91' ' ' PRO . 0.7 OUTLIER -134.54 100.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.471 ' HG2' ' CB ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -93.88 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.478 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 p -38.46 142.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.302 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.655 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -133.54 -142.73 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -74.56 -42.7 58.32 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.46 ' CB ' ' HG ' ' A' ' 111' ' ' LEU . 10.5 p-80 -111.45 -50.65 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.655 HG23 ' N ' ' A' ' 100' ' ' GLY . 1.5 m -52.21 97.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 124.739 1.274 . . . . 0.0 109.355 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.39 -175.38 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.375 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -14.6 61.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -112.26 32.23 5.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.724 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 44.34 39.55 5.63 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.612 1.195 . . . . 0.0 110.958 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -98.6 141.53 31.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.491 0.759 . . . . 0.0 109.07 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 109' ' ' ILE . 2.8 mp -84.69 101.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.328 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.31 37.14 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.49 HD12 ' CG2' ' A' ' 109' ' ' ILE . 12.5 mt -53.02 140.47 41.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.06 -20.58 16.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -76.66 -53.32 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -42.97 -41.95 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -65.18 -52.81 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.23 33.98 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 17.3 t90 -129.22 136.99 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.597 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -176.41 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.3 m-70 168.83 163.21 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -38.54 1.76 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.027 -0.061 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.463 ' O ' ' CD ' ' A' ' 121' ' ' GLN . 1.6 pp0? -111.63 57.33 0.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 118' ' ' LYS . 7.8 p -69.68 121.15 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.064 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.6 -179.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 28' ' ' VAL . 14.1 mt -55.24 -48.38 74.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.728 HD23 ' HG ' ' A' ' 31' ' ' LEU . 4.7 mp -40.31 -65.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . -56.17 -39.17 80.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -54.23 -71.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 132' ' ' ILE . 1.6 mp -43.72 -27.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -58.63 -61.07 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -42.98 -47.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 48.8 mtt -57.45 -50.43 73.06 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 128' ' ' ILE . 0.6 OUTLIER -45.3 -34.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.54 -59.64 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 130' ' ' VAL . 55.3 t -42.44 -48.69 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 1.024 ' CD2' HG21 ' A' ' 70' ' ' ILE . 16.4 m-85 -81.28 -32.77 33.05 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.11 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.551 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -56.33 -26.82 51.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.336 1.022 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.7 OUTLIER -82.36 -50.5 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.467 0.745 . . . . 0.0 109.268 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 12.1 mt-10 -161.6 152.48 15.11 Favored Pre-proline 0 N--CA 1.446 -0.643 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.21 121.28 6.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.298 1.683 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 17.8 Cg_endo -74.67 -24.73 13.27 Favored 'Trans proline' 0 C--N 1.364 1.375 0 O-C-N 124.531 1.806 . . . . 0.0 110.905 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.0 m -50.98 -49.34 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.632 1.207 . . . . 0.0 109.208 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.8 -177.95 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.165 0.916 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.471 ' CB ' ' HG2' ' A' ' 98' ' ' LYS . 59.9 p -104.09 70.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.77 92.2 0.86 Allowed Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.312 1.007 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.362 1.262 0 O-C-N 124.417 1.746 . . . . 0.0 111.091 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 3' ' ' VAL . 68.9 t 41.76 58.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.693 1.246 . . . . 0.0 109.089 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -48.29 152.42 0.87 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.433 1.083 . . . . 0.0 109.831 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -38.24 32.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 124.287 0.992 . . . . 0.0 110.379 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -43.03 86.05 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.509 1.131 . . . . 0.0 110.146 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -75.67 -38.15 59.01 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.749 1.281 . . . . 0.0 110.001 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.4 tt -52.89 -50.43 63.89 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 124.699 1.249 . . . . 0.0 109.225 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.47 -48.98 79.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.467 1.104 . . . . 0.0 109.471 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -58.32 -33.45 69.51 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.632 1.207 . . . . 0.0 109.622 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 2.6 ttm -71.07 -49.52 43.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 124.777 1.298 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 8' ' ' LEU . 26.9 m -88.82 13.41 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.508 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -81.3 -23.14 38.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 110.282 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -95.71 -20.18 19.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.005 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.0 125.03 26.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.51 -53.16 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 1.202 . . . . 0.0 109.181 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.06 36.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.945 1.403 . . . . 0.0 111.133 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.3 ptt180 -46.45 -40.41 12.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.654 1.221 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.441 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -76.7 -41.21 46.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 53' ' ' MET . 1.4 m -72.44 -40.3 67.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' ARG . 3.4 t -57.54 -46.91 86.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.661 1.226 . . . . 0.0 109.263 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -72.97 -40.92 64.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.78 -40.3 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 29' ' ' ILE . 6.2 m -68.72 -58.28 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.751 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -48.22 -47.32 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.528 1.143 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 5.6 t-20 -49.29 -69.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 0.0 109.264 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG21 HD23 ' A' ' 124' ' ' LEU . 70.4 t -40.4 -41.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 26' ' ' VAL . 17.8 mt -66.9 -57.41 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.2 m -54.71 -43.09 72.26 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.588 1.18 . . . . 0.0 110.175 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.48 -34.1 76.17 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.378 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.425 ' OH ' HD11 ' A' ' 132' ' ' ILE . 5.7 m-85 -139.71 108.6 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -76.18 57.52 1.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.564 1.165 . . . . 0.0 109.448 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.4 -48.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.954 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 57' ' ' GLY . 3.8 mm? -64.47 110.12 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 148.61 34.9 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.357 0.977 0 O-C-N 124.272 1.67 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.47 159.08 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.937 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -150.53 108.87 3.77 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 124.35 1.032 . . . . 0.0 109.538 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.548 ' N ' HD22 ' A' ' 39' ' ' LEU . 10.2 t70 -133.38 144.34 49.52 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.552 1.158 . . . . 0.0 109.531 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 p -87.7 128.18 35.3 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.326 1.016 . . . . 0.0 109.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -109.59 122.32 47.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -41.94 158.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.33 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -163.3 150.25 12.55 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.199 0.937 . . . . 0.0 111.31 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 27.7 t30 68.24 9.43 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.23 0.956 . . . . 0.0 109.61 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 16.8 t0 77.85 26.56 0.62 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.992 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.03 -61.26 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.673 1.233 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 60.3 m -45.16 168.08 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 O-C-N 124.375 0.691 . . . . 0.0 109.77 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -145.27 107.79 4.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.661 1.225 . . . . 0.0 110.117 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.738 HH21 HD11 ' A' ' 52' ' ' LEU . 10.9 ttp180 -95.38 148.81 22.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.175 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.695 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.1 mp0 -90.11 117.39 28.85 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.761 1.288 . . . . 0.0 110.534 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.738 HD11 HH21 ' A' ' 50' ' ' ARG . 4.2 mm? -127.01 148.43 50.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.615 1.197 . . . . 0.0 109.654 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 21' ' ' THR . 22.4 ptm -105.11 153.15 21.9 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.732 1.27 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -145.05 147.57 32.74 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.54 111.17 23.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.8 m -110.93 137.62 48.34 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.223 0.952 . . . . 0.0 110.649 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' N ' HD13 ' A' ' 35' ' ' LEU . . . 177.26 -161.3 28.73 Favored Glycine 0 CA--C 1.528 0.863 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -140.28 143.36 35.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 0.702 . . . . 0.0 110.195 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 pt -112.41 152.6 44.68 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.607 1.192 . . . . 0.0 108.97 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.82 102.76 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.614 1.85 . . . . 0.0 111.129 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.8 93.69 46.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.354 1.034 . . . . 0.0 109.592 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.82 144.64 31.18 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.608 1.846 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -179.39 35.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.61 1.193 . . . . 0.0 110.926 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -168.08 34.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.261 0.975 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.18 -7.12 76.93 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -148.7 -174.89 4.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 0.743 . . . . 0.0 109.447 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -97.19 141.57 30.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.182 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.09 162.74 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -107.02 82.23 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.367 1.042 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.451 HG21 ' HD2' ' A' ' 135' ' ' PHE . 25.6 mm -74.21 114.31 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.201 . . . . 0.0 109.288 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 130.97 13.91 Favored 'Trans proline' 0 C--N 1.362 1.288 0 O-C-N 124.605 1.845 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pt -135.88 157.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 O-C-N 124.269 0.981 . . . . 0.0 109.248 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.85 141.13 42.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -123.95 148.29 47.03 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.781 1.3 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 81.6 m95 -121.2 139.58 53.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 77' ' ' LEU . 7.7 mp -120.59 -176.16 3.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -151.28 172.89 15.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.579 1.174 . . . . 0.0 109.224 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.4 -35.53 54.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.42 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.14 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -127.63 164.85 33.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 111.011 179.649 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.8 Cg_endo -75.17 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.91 0.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -76.84 107.8 9.42 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.719 1.262 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 3.1 t-20 -48.12 -48.63 63.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.95 148.35 35.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.97 165.22 31.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.2 mp -102.02 144.35 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.469 ' HB3' ' CE ' ' A' ' 131' ' ' MET . 85.9 m -93.16 131.99 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 108.235 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' CE2' ' HD3' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -140.0 162.34 35.44 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.644 1.215 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 107' ' ' GLY . 8.7 m -120.81 157.37 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.285 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.98 91.56 42.33 Favored Pre-proline 0 N--CA 1.451 -0.375 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -74.62 159.34 42.73 Favored 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.803 1.949 . . . . 0.0 111.161 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 p -105.84 -152.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.697 1.248 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -44.77 4.97 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 t -59.19 -56.07 26.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.84 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.906 ' HB3' HG22 ' A' ' 141' ' ' VAL . 2.5 mpp? -78.47 -174.61 3.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.7 1.25 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 97' ' ' ILE . 14.8 t -134.26 -158.11 0.86 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.117 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -136.93 89.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.666 1.228 . . . . 0.0 109.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.454 ' HB2' ' CB ' ' A' ' 142' ' ' PHE . 0.1 OUTLIER -64.48 86.15 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 p -41.29 139.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.285 0.99 . . . . 0.0 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.34 -163.68 9.78 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -29.33 60.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -109.7 -28.83 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.782 HG21 ' HB3' ' A' ' 140' ' ' PRO . 79.6 t -82.66 98.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -74.84 -179.49 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.56 -2.83 51.45 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 109.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -109.87 18.08 20.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.792 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 57.54 38.49 87.67 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.442 1.088 . . . . 0.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HD3' ' CE2' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -108.23 132.46 53.63 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.503 0.767 . . . . 0.0 109.397 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.518 HD11 ' CG1' ' A' ' 89' ' ' VAL . 28.9 mm -80.36 99.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.13 85.13 3.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 114' ' ' LEU . 10.3 mt -100.45 108.75 54.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 18.4 Cg_endo -74.94 -5.43 16.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -55.44 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.868 HD13 HD21 ' A' ' 127' ' ' LEU . 2.5 pp -81.57 -7.05 59.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 112' ' ' PRO . 65.3 t60 -70.37 -46.33 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.31 9.87 16.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.413 ' CZ2' ' HB2' ' A' ' 121' ' ' GLN . 23.1 t90 -129.37 154.85 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.952 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.6 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -166.99 104.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.378 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.608 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 63.01 165.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.608 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.97 -52.37 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.027 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.413 ' HB2' ' CZ2' ' A' ' 117' ' ' TRP . 0.3 OUTLIER -47.06 -50.11 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.927 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 127' ' ' LEU . 4.9 m-20 -148.25 -176.97 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.451 HD23 HG21 ' A' ' 28' ' ' VAL . 2.8 mp -48.4 -38.17 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.505 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 1.0 OUTLIER -69.72 -59.91 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.6 -15.6 33.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.868 HD21 HD13 ' A' ' 114' ' ' LEU . 16.7 mt -82.97 -53.97 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 mm -59.15 -16.61 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.12 -59.34 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -44.65 -43.19 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.541 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 35.6 mtt -64.88 -53.55 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.425 HD11 ' OH ' ' A' ' 32' ' ' TYR . 4.0 mt -44.9 -31.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -93.33 -63.26 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.7 t -41.89 -42.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 131' ' ' MET . 6.1 m-85 -89.11 -30.28 18.75 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.26 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.6 70.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.65 -54.61 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.45 118.65 4.2 Favored Pre-proline 0 N--CA 1.447 -0.608 0 O-C-N 124.776 1.297 . . . . 0.0 110.486 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.51 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 18.7 Cg_endo -74.56 145.34 33.17 Favored 'Trans proline' 0 C--N 1.356 0.965 0 O-C-N 124.4 1.737 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.782 ' HB3' HG21 ' A' ' 103' ' ' VAL . 17.9 Cg_endo -75.43 -24.33 12.26 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.251 1.658 . . . . 0.0 110.801 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -53.29 -48.45 55.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 124.958 1.411 . . . . 0.0 109.437 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 143' ' ' SER . 1.4 t80 49.95 -139.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 142' ' ' PHE . 1.9 t 88.79 24.39 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.863 1.352 . . . . 0.0 110.083 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.3 85.29 55.51 Favored Pre-proline 0 C--N 1.322 -0.627 0 O-C-N 124.343 1.027 . . . . 0.0 110.392 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.357 1.019 0 O-C-N 124.605 1.845 . . . . 0.0 110.991 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 3' ' ' VAL . 14.6 p -163.49 67.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.548 1.155 . . . . 0.0 109.094 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 146.09 26.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.177 0.923 . . . . 0.0 110.392 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -46.79 -34.19 5.06 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -40.94 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.463 1.102 . . . . 0.0 109.925 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -43.33 76.51 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 124.84 1.337 . . . . 0.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.593 ' O ' HG22 ' A' ' 12' ' ' VAL . 11.7 tp -58.82 -41.78 87.63 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.986 1.429 . . . . 0.0 109.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -68.11 -48.58 65.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 109.158 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -22.62 67.02 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.78 1.3 . . . . 0.0 109.375 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.7 mtt -78.04 -49.23 14.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.886 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 8' ' ' LEU . 17.3 m -99.87 20.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.596 1.185 . . . . 0.0 108.901 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -78.49 1.27 22.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 124.215 0.947 . . . . 0.0 110.247 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -98.64 -13.61 20.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.583 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.47 ' CE2' HG21 ' A' ' 21' ' ' THR . 3.0 m-30 -65.79 164.51 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -98.6 -39.29 8.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.487 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LEU . 5.2 m-85 -101.48 36.27 2.07 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' THR . 18.5 mtp180 -39.97 -71.04 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.759 1.287 . . . . 0.0 110.429 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 3.2 m-20 -39.93 -32.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.688 1.242 . . . . 0.0 109.392 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -77.65 -50.91 11.51 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.643 1.214 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.47 HG21 ' CE2' ' A' ' 15' ' ' TYR . 8.7 m -62.46 -27.84 69.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -77.25 -40.75 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.494 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.07 -52.51 64.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.798 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.7 pt-20 -63.56 -40.35 96.77 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m -61.78 -38.81 89.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -71.43 -45.96 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.407 -179.737 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 41.4 t-20 -64.95 -52.28 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.285 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 24' ' ' GLU . 39.8 t -43.14 -62.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' TYR . 3.0 pt -62.01 -55.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m -42.5 -46.12 4.7 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.574 1.171 . . . . 0.0 110.526 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -44.84 78.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.633 1.208 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 132' ' ' ILE . 38.0 m-85 -132.83 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -81.75 56.94 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.73 -46.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.926 1.391 . . . . 0.0 109.103 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.798 HD13 ' HA3' ' A' ' 57' ' ' GLY . 3.2 mm? -67.24 128.44 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 124.282 0.989 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 139.08 20.69 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 109.391 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -75.14 136.95 20.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 O-C-N 124.413 1.744 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.08 157.89 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.364 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -122.91 116.11 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.203 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -144.58 135.36 24.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.467 1.104 . . . . 0.0 109.024 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 59.8 p -100.58 159.07 15.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -129.64 114.65 16.29 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.383 1.052 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.422 ' H ' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -81.1 107.67 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 O-C-N 124.918 1.386 . . . . 0.0 109.505 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -82.07 162.45 22.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.21 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -38.43 -41.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.208 0.943 . . . . 0.0 109.477 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -156.39 45.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.953 1.408 . . . . 0.0 109.382 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.67 2.86 6.51 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.402 ' C ' ' HA ' ' A' ' 43' ' ' VAL . 49.5 m 62.43 171.36 0.13 Allowed 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.7 0.882 . . . . 0.0 109.983 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -77.04 80.7 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 3.1 mtt180 -61.63 123.47 18.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.115 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.622 ' C ' HD22 ' A' ' 52' ' ' LEU . 84.4 mt-10 -71.19 112.81 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.792 1.307 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.622 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.9 mm? -132.95 149.35 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.595 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.14 124.56 47.95 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -104.01 156.14 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -116.11 100.89 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.175 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -105.34 136.67 44.44 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.361 1.038 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.798 ' HA3' HD13 ' A' ' 35' ' ' LEU . . . -163.5 174.51 39.74 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.557 1.161 . . . . 0.0 110.92 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -128.26 119.41 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 0.821 . . . . 0.0 110.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.558 HG23 ' HD2' ' A' ' 60' ' ' PRO . 10.3 mt -94.35 140.52 22.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 59' ' ' ILE . 17.9 Cg_endo -74.92 128.97 11.98 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.251 1.658 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 61' ' ' VAL . 6.4 t -125.84 97.38 35.82 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.416 1.072 . . . . 0.0 109.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -75.14 93.07 0.97 Allowed 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.697 1.893 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 14.8 t80 -85.2 83.9 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.95 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.16 -36.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.456 1.097 . . . . 0.0 111.053 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -83.16 146.65 28.52 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.411 0.713 . . . . 0.0 109.497 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.6 m -108.54 136.62 47.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.184 0.927 . . . . 0.0 110.254 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -109.59 162.63 14.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.929 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -111.18 68.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.616 1.198 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.25 107.52 0.86 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.606 1.191 . . . . 0.0 109.267 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 136.0 19.93 Favored 'Trans proline' 0 C--N 1.362 1.289 0 O-C-N 124.578 1.831 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 pt -142.68 155.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.662 1.226 . . . . 0.0 109.036 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -140.0 139.35 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.56 158.77 25.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.983 1.427 . . . . 0.0 109.432 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -126.63 122.0 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.745 HD11 ' OE2' ' A' ' 24' ' ' GLU . 3.6 mm? -95.05 167.79 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.939 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -143.04 163.31 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 79' ' ' THR . 2.4 p30 -81.2 -38.75 26.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.746 HG22 ' OD1' ' A' ' 78' ' ' ASP . 5.0 t -175.52 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.418 1.074 . . . . 0.0 110.433 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.59 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -99.9 170.22 7.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 O-C-N 124.435 1.084 . . . . 0.0 111.085 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.59 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 18.6 Cg_endo -74.71 -35.21 3.0 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.091 -2.462 . . . . 0.0 111.358 -0.154 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 69.6 m-85 -95.67 -65.86 0.95 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.939 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.6 m-20 160.36 -49.26 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 124.542 1.151 . . . . 0.0 109.106 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.5 Cg_endo -74.97 145.56 31.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' CH2' ' A' ' 117' ' ' TRP . 18.5 Cg_endo -74.96 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.452 HG21 ' CE2' ' A' ' 88' ' ' PHE . 2.9 mt -104.76 160.24 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.405 ' N ' HG22 ' A' ' 86' ' ' ILE . 68.3 m -121.95 134.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.249 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 86' ' ' ILE . 17.0 m-85 -139.17 132.76 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.51 138.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.384 1.053 . . . . 0.0 109.541 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -105.8 112.48 64.43 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.824 1.327 . . . . 0.0 109.261 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.568 ' HB3' HD12 ' A' ' 97' ' ' ILE . 19.0 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.363 1.302 0 O-C-N 124.264 1.665 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.9 p -136.94 163.52 30.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.551 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -87.3 -32.43 19.68 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.425 1.078 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -41.35 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.722 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.586 ' HG3' HG12 ' A' ' 141' ' ' VAL . 0.0 OUTLIER -140.63 147.03 38.7 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -60.84 -161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 91' ' ' PRO . 13.3 tt -124.4 126.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.396 1.06 . . . . 0.0 108.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -79.8 104.7 10.56 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.106 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.8 p -83.24 143.1 30.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.335 1.022 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.46 -128.2 1.43 Allowed Glycine 0 CA--C 1.533 1.199 0 O-C-N 124.471 1.107 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -85.46 -62.22 1.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 124.746 0.909 . . . . 0.0 109.317 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.721 ' ND1' HG23 ' A' ' 103' ' ' VAL . 6.3 p80 -70.81 -48.77 52.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.721 HG23 ' ND1' ' A' ' 102' ' ' HIS . 39.5 t -74.51 94.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.59 1.181 . . . . 0.0 109.136 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.74 -19.1 38.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.739 1.274 . . . . 0.0 109.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.52 34.01 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.202 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' A' ' 97' ' ' ILE . . . 44.22 53.84 6.51 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.579 1.174 . . . . 0.0 110.939 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -117.8 149.24 41.13 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.646 0.851 . . . . 0.0 109.466 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 109' ' ' ILE . 8.4 mm -80.64 102.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.732 1.27 . . . . 0.0 109.268 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.23 50.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 102' ' ' HIS . 30.4 mt -75.23 150.2 85.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -18.18 18.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -28.41 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -33.21 59.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.12 36.29 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 122' ' ' SER . 2.8 t90 -82.11 102.22 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.616 1.197 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.574 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -139.88 14.17 2.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.574 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.63 163.48 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.08 -15.34 22.56 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.99 0.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.3 OUTLIER -36.74 -66.53 0.22 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 15.3 t -93.42 164.08 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -179.68 149.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -40.23 -38.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.494 ' H ' HD22 ' A' ' 125' ' ' LEU . 1.9 mm? -68.27 -59.85 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.94 -20.36 40.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' ASP . 1.6 mm? -68.58 -53.7 21.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -69.49 -19.42 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.38 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.21 -56.31 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -54.27 -46.8 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.564 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 43.0 mtt -57.88 -39.81 78.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 mt -63.5 -30.35 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' VAL . 57.6 t -86.52 -64.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 133' ' ' VAL . 6.7 t -40.49 -50.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 131' ' ' MET . 10.7 m-30 -76.96 -31.24 56.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.558 1.162 . . . . 0.0 111.226 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.53 -12.18 51.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.366 1.041 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.66 -48.7 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.02 151.8 18.14 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.791 1.307 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.82 113.76 3.87 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 17.9 Cg_endo -75.47 -0.03 9.64 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 95' ' ' MET . 57.6 t -86.73 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.269 0.981 . . . . 0.0 109.2 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 t80 58.13 173.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.224 0.952 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.82 41.92 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.706 1.254 . . . . 0.0 109.892 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.416 ' HB3' HG21 ' A' ' 96' ' ' THR . 6.6 ttm180 -39.0 99.44 0.19 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.448 -1.195 0 O-C-N 124.65 1.869 . . . . 0.0 110.966 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 3' ' ' VAL . 97.1 t -81.88 51.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 125.078 1.486 . . . . 0.0 109.139 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 80.68 166.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.33 1.019 . . . . 0.0 109.795 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.66 -37.22 62.94 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.97 1.419 . . . . 0.0 110.323 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -48.98 -42.06 36.43 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 124.425 1.078 . . . . 0.0 109.7 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -70.82 -43.26 68.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.192 0.933 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.653 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -55.97 -36.42 67.82 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.808 1.317 . . . . 0.0 109.284 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 12' ' ' VAL . 31.5 mttt -78.83 -29.45 44.69 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -46.96 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.419 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.758 ' HG3' HG13 ' A' ' 12' ' ' VAL . 23.0 ptp -62.47 -36.32 82.09 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 124.848 1.343 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.758 HG13 ' HG3' ' A' ' 11' ' ' MET . 24.2 m -90.12 -3.72 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 124.708 1.255 . . . . 0.0 108.906 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 t -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 -35.96 37.49 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.267 0.979 . . . . 0.0 109.096 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.594 ' CD2' HG21 ' A' ' 21' ' ' THR . 1.0 OUTLIER -51.19 111.17 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.659 1.224 . . . . 0.0 111.04 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 36.8 tttt -45.42 -64.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.047 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 17.9 m-30 -80.14 52.63 1.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 125.117 1.511 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -52.68 61.8 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.325 1.016 . . . . 0.0 110.016 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.72 -37.4 50.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.374 1.046 . . . . 0.0 109.315 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -52.84 8.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.859 1.35 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.594 HG21 ' CD2' ' A' ' 15' ' ' TYR . 16.8 m -53.8 -42.69 68.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.47 -39.85 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 O-C-N 124.536 1.148 . . . . 0.0 109.679 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -59.79 -52.03 67.2 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.417 1.073 . . . . 0.0 110.177 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -67.84 -35.28 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -64.45 -43.95 92.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.592 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -72.03 -42.46 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.365 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 7.7 m-80 -63.97 -49.88 70.77 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.189 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.7 t -49.57 -71.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.8 pt -43.57 -54.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 m -53.92 -42.37 68.68 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.151 . . . . 0.0 110.059 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -52.48 -43.62 65.12 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.669 1.23 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.775 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 22.6 m-85 -104.17 -175.16 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 51.6 mmtt -141.02 51.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.883 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 m-20 173.54 52.28 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.22 0.95 . . . . 0.0 109.416 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.54 HD22 HG12 ' A' ' 28' ' ' VAL . 1.5 mp -118.12 152.03 36.41 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.47 110.53 5.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.202 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.45 134.92 17.64 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 124.556 1.819 . . . . 0.0 110.762 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -121.2 162.68 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.762 HD21 ' HG2' ' A' ' 51' ' ' GLU . 2.3 tm? -137.43 108.08 6.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.608 1.193 . . . . 0.0 108.861 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.84 132.44 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.6 p -107.28 148.82 28.49 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -131.05 119.55 22.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.35 1.031 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 45' ' ' ASN . 2.5 p -82.95 136.46 22.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.225 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' HB2' ' CA ' ' A' ' 47' ' ' GLY . 9.8 m-85 -91.15 26.5 2.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.771 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.737 ' H ' HG22 ' A' ' 43' ' ' VAL . 1.2 m120 38.76 32.31 0.06 Allowed 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.23 0.956 . . . . 0.0 109.611 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 44' ' ' PHE . 6.2 m-20 165.76 -32.93 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.595 1.184 . . . . 0.0 109.043 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 44' ' ' PHE . . . -87.47 19.43 32.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.79 1.306 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m 65.19 174.77 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.38 0.694 . . . . 0.0 109.883 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -85.47 112.76 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.793 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -97.92 114.96 27.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.365 1.041 . . . . 0.0 110.404 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.762 ' HG2' HD21 ' A' ' 39' ' ' LEU . 6.9 tt0 -83.45 113.5 20.81 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.548 1.155 . . . . 0.0 110.231 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.573 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.2 mm? -119.78 148.05 43.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.2 ptm -115.5 133.0 56.45 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 124.759 1.287 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.61 144.16 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.3 mt -109.07 115.83 30.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.374 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 t -122.19 142.71 50.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.706 1.254 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.49 170.66 43.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 p -121.02 118.2 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.775 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 7.6 pt -92.28 150.94 41.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.098 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.25 147.13 32.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.391 1.732 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.635 HG21 HD12 ' A' ' 70' ' ' ILE . 2.4 t -149.85 110.01 3.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.434 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.67 95.36 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.83 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.8 t80 -88.62 82.97 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.558 1.162 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 4.2 mmm180 88.06 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.87 -30.78 0.15 Allowed Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.48 1.112 . . . . 0.0 111.072 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -77.45 152.97 33.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.276 0.633 . . . . 0.0 109.712 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -92.96 118.09 30.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.181 0.926 . . . . 0.0 110.463 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 1.4 t80 -102.37 150.29 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -120.05 86.94 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 61' ' ' VAL . 9.3 mt -84.37 123.54 74.78 Favored Pre-proline 0 C--N 1.32 -0.692 0 O-C-N 124.38 1.05 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.609 ' O ' HG23 ' A' ' 72' ' ' ILE . 18.7 Cg_endo -75.05 156.04 42.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.591 1.838 . . . . 0.0 111.244 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.609 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.7 pp -157.66 133.78 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.734 1.272 . . . . 0.0 109.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 0.8 OUTLIER -114.86 153.68 30.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.552 1.158 . . . . 0.0 108.06 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.83 125.86 12.08 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.004 1.44 . . . . 0.0 109.319 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 50.9 m95 -97.42 143.77 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 108.042 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.607 HD22 ' C ' ' A' ' 75' ' ' TRP . 1.6 mm? -113.88 179.44 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.24 -179.05 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.581 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -112.03 -32.08 6.69 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 124.669 1.231 . . . . 0.0 109.172 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 173.81 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.654 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.473 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -152.65 165.36 17.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.897 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.7 Cg_endo -74.75 -56.79 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.077 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 10.9 m-85 -67.16 102.74 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.639 1.212 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.653 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -59.09 -43.64 97.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.0 Cg_endo -75.03 140.08 24.96 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.483 1.78 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.08 165.52 31.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.419 1.747 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.97 148.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 114' ' ' LEU . 84.7 m -124.59 133.55 53.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 7.1 p90 -166.55 149.74 6.99 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 71' ' ' PRO . 11.1 p -87.9 147.74 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.221 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.87 128.63 47.29 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.557 1.161 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.81 144.8 31.42 Favored 'Trans proline' 0 C--N 1.355 0.902 0 O-C-N 124.872 1.985 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.5 p -117.34 -179.13 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.9 p -81.21 -38.69 26.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.394 1.058 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -87.74 -53.32 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 141' ' ' VAL . 18.7 mtm -86.12 165.26 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.562 1.164 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 143' ' ' SER . 14.3 t -137.74 -153.42 0.48 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.634 1.208 . . . . 0.0 110.666 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.613 HG21 ' HA2' ' A' ' 107' ' ' GLY . 17.8 mt -132.22 114.38 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.404 1.065 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.38 96.64 3.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.118 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.0 p -54.74 135.9 46.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.24 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.28 -136.52 2.21 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -86.27 -61.01 1.84 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -33.9 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.661 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 140' ' ' PRO . 60.6 t -89.29 86.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.414 1.071 . . . . 0.0 109.177 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.87 -159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.659 1.224 . . . . 0.0 109.471 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.34 -17.34 37.09 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.261 0.976 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.51 29.14 5.0 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.461 1.101 . . . . 0.0 109.417 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.613 ' HA2' HG21 ' A' ' 97' ' ' ILE . . . 43.03 26.91 0.54 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.574 1.171 . . . . 0.0 111.171 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 2.4 ttpp -84.9 144.9 28.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 124.381 0.695 . . . . 0.0 109.153 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.74 ' CG2' HD12 ' A' ' 111' ' ' LEU . 19.6 mm -82.47 98.34 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 29.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.74 HD12 ' CG2' ' A' ' 109' ' ' ILE . 20.6 mt -52.2 153.78 4.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.11 18.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -44.55 23.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.499 HD11 ' SG ' ' A' ' 87' ' ' CYS . 2.0 tt -66.84 -43.3 84.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -60.52 -38.59 84.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.613 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 32.77 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.575 ' CD1' ' HB3' ' A' ' 122' ' ' SER . 4.4 t90 -83.81 109.2 17.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.066 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -120.07 74.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -41.62 162.19 0.13 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.98 1.88 15.34 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.053 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.444 ' N ' ' HA ' ' A' ' 119' ' ' HIS . 37.9 mm-40 -34.65 -65.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.575 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.03 162.41 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.93 158.79 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 24' ' ' GLU . 6.3 mp -45.01 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.554 ' H ' HD22 ' A' ' 125' ' ' LEU . 1.6 mm? -51.3 -55.09 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.83 -43.14 99.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -62.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.435 HG23 ' OH ' ' A' ' 32' ' ' TYR . 26.2 mm -45.1 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -59.15 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -51.06 -46.69 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.594 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 9.7 mtt -61.72 -30.42 70.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.08 -31.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.44 -61.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -40.61 -49.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 131' ' ' MET . 10.8 m-30 -79.56 -31.98 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.12 -21.23 45.68 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.3 OUTLIER -95.82 -50.13 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 9.6 mt-10 -164.72 127.65 1.63 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.446 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.04 150.46 38.01 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 18.7 Cg_endo -74.79 -32.34 5.8 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.585 1.834 . . . . 0.0 111.17 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 142' ' ' PHE . 1.2 p -55.98 165.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 124.869 1.356 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 143' ' ' SER . 0.4 OUTLIER 172.7 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.397 1.061 . . . . 0.0 111.139 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.626 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.3 OUTLIER 171.78 36.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.78 1.3 . . . . 0.0 109.968 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.429 ' N ' HG21 ' A' ' 96' ' ' THR . 0.1 OUTLIER 66.53 140.33 0.06 OUTLIER Pre-proline 0 N--CA 1.452 -0.345 0 O-C-N 124.582 1.176 . . . . 0.0 110.345 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.362 1.273 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.841 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 23.4 m -90.61 -5.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.412 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER 77.46 153.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.411 1.07 . . . . 0.0 110.002 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.26 -25.8 67.05 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 124.588 1.18 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -40.21 80.55 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.651 1.219 . . . . 0.0 110.037 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 4.1 tp60 -80.78 -38.14 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -57.65 -45.88 84.91 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 124.741 1.276 . . . . 0.0 109.4 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' SER . 7.6 mttt -71.36 -62.29 1.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.95 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -45.45 -29.37 1.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ttm -69.44 -49.62 53.38 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.664 1.228 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG21 ' CG2' ' A' ' 22' ' ' VAL . 34.7 m -97.62 20.16 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.404 1.065 . . . . 0.0 109.459 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.4 m -82.31 -35.96 27.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.595 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -34.82 42.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.226 0.954 . . . . 0.0 109.336 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 4.9 m-85 -54.71 166.41 0.48 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -53.27 3.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.394 1.059 . . . . 0.0 109.344 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.45 36.9 0.89 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.329 1.018 . . . . 0.0 111.021 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 17.9 ptt180 -42.73 -33.75 0.79 Allowed 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.693 1.246 . . . . 0.0 110.337 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -66.37 -46.31 77.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 109.135 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -70.38 -33.93 71.98 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.714 1.259 . . . . 0.0 109.209 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.938 HG23 HD23 ' A' ' 76' ' ' LEU . 22.4 m -72.19 -51.55 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.528 ' CG2' HG21 ' A' ' 12' ' ' VAL . 15.5 t -58.86 -41.59 83.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.547 1.155 . . . . 0.0 109.666 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.93 -52.67 64.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.382 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -59.37 -38.44 80.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.339 1.025 . . . . 0.0 110.364 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.28 -37.51 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -70.09 -42.6 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.116 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' OD1' HD11 ' A' ' 125' ' ' LEU . 3.8 t-20 -67.59 -54.03 23.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.657 1.223 . . . . 0.0 109.164 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.5 t -42.01 -60.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.0 pt -61.94 -56.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -42.75 -44.91 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -69.38 -44.99 70.38 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.756 1.285 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 31' ' ' LEU . 41.2 m-85 -127.57 113.71 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -85.16 57.77 4.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.333 1.021 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -47.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.803 HD11 HD11 ' A' ' 59' ' ' ILE . 6.2 mp -63.19 126.3 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.612 1.195 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -108.35 130.44 22.77 Favored Pre-proline 0 N--CA 1.449 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.644 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.556 ' HA ' HD23 ' A' ' 55' ' ' LEU . 20.4 Cg_endo -74.42 135.94 20.97 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.367 1.719 . . . . 0.0 111.272 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.88 159.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.678 1.236 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.837 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -136.05 104.2 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.535 1.147 . . . . 0.0 109.449 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 145.78 50.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 p -106.25 155.87 19.05 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 109.894 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -147.52 161.71 40.54 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -98.55 121.85 49.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 124.418 1.073 . . . . 0.0 109.604 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 6.7 m-85 -66.59 69.3 0.07 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.79 1.306 . . . . 0.0 111.381 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 43' ' ' VAL . 4.8 t-20 75.57 -49.41 0.62 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.649 1.218 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 47' ' ' GLY . 1.3 t70 179.01 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 125.011 1.444 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -33.02 -59.81 0.45 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.3 p -176.21 174.2 2.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 124.56 0.8 . . . . 0.0 109.804 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p -91.39 153.57 19.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.349 1.031 . . . . 0.0 110.181 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 148.42 31.78 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.457 1.098 . . . . 0.0 110.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.765 ' C ' HD22 ' A' ' 52' ' ' LEU . 4.0 mt-10 -101.51 123.61 45.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 124.807 1.317 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.765 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.9 mm? -133.41 154.87 50.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.433 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 ttm -103.14 119.96 39.81 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.739 1.274 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -106.56 124.92 50.33 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.4 mt -98.11 116.34 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.452 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -122.06 132.98 54.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.475 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . -159.01 177.26 35.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.079 . . . . 0.0 111.076 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 p -119.92 119.08 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 0.767 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 35' ' ' LEU . 3.7 mp -102.07 139.58 20.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 108.995 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.87 130.79 13.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.718 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.5 t -123.13 81.82 51.51 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.606 1.191 . . . . 0.0 109.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.07 133.19 16.2 Favored 'Trans proline' 0 C--N 1.364 1.377 0 O-C-N 124.667 1.877 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -178.89 39.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.8 34.85 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.22 -20.27 17.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 61.8 m-20 -128.99 179.57 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.014 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -115.11 141.24 48.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.785 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -90.06 175.12 7.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.403 1.064 . . . . 0.0 110.893 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -125.79 71.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.297 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.621 HG21 ' HD2' ' A' ' 135' ' ' PHE . 29.5 mt -90.75 113.12 56.82 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 124.678 1.236 . . . . 0.0 109.285 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 18.3 Cg_endo -74.92 162.92 36.48 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 O-C-N 124.349 1.71 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.622 HG12 HD13 ' A' ' 59' ' ' ILE . 2.1 pp -153.05 134.47 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 t -112.78 148.7 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 108.38 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 76' ' ' LEU . 1.7 tt -140.54 121.82 14.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.474 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 96.1 m95 -93.43 135.21 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.938 HD23 HG23 ' A' ' 21' ' ' THR . 7.5 mp -105.69 177.58 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.009 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -150.14 172.95 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.31 -36.85 17.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -178.33 -32.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.8 OUTLIER -102.08 169.2 7.92 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.628 1.205 . . . . 0.0 111.042 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.0 Cg_endo -74.94 -36.07 2.71 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.928 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.433 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 20.8 m-85 -91.69 -69.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.351 1.032 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.009 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.3 m-20 161.08 -50.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.03 154.18 42.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.474 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.0 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.38 139.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.443 ' CB ' ' HB ' ' A' ' 109' ' ' ILE . 61.6 m -82.72 136.81 34.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -147.95 169.5 19.73 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.62 1.2 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.0 p -125.64 151.77 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.223 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.4 90.17 41.85 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.717 1.261 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.12 140.03 24.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.213 1.638 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -97.0 -174.02 2.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.676 1.235 . . . . 0.0 110.246 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.01 -49.13 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.338 1.024 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.83 76.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.927 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.461 ' HG2' ' CG1' ' A' ' 141' ' ' VAL . 0.8 OUTLIER -93.99 -179.41 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.136 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.569 HG21 ' HB2' ' A' ' 143' ' ' SER . 10.2 t -128.45 -158.32 0.87 Allowed 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.471 1.107 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.7 OUTLIER -131.9 141.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.191 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 142' ' ' PHE . 3.6 tttm -99.24 75.55 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -46.66 136.74 7.54 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.76 -136.61 2.02 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.56 1.162 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.74 -32.84 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-70 -103.63 -27.71 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.363 1.039 . . . . 0.0 109.511 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.58 -21.87 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.411 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.82 -161.19 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.72 1.262 . . . . 0.0 109.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.5 -24.49 13.43 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.811 1.319 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -102.94 29.73 5.24 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 124.53 1.144 . . . . 0.0 109.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.883 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 43.1 52.25 5.89 Favored Glycine 0 CA--C 1.534 1.225 0 O-C-N 124.588 1.18 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.5 ttpt -113.79 114.91 26.96 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.756 0.915 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.715 ' CG2' HD12 ' A' ' 111' ' ' LEU . 12.6 mm -54.23 96.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 O-C-N 124.504 1.128 . . . . 0.0 109.155 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 31.57 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.715 HD12 ' CG2' ' A' ' 109' ' ' ILE . 29.8 mt -52.53 118.9 13.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.505 ' HD3' ' CE1' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -75.03 -16.41 20.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 117' ' ' TRP . 4.5 m-85 -85.82 -59.73 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -46.0 -38.64 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.72 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -102.67 36.8 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 122' ' ' SER . 10.5 t90 -100.83 -103.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 107.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 40.45 72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.251 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.626 ' CG ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 171.26 150.86 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.91 -8.54 23.42 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.098 -0.094 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -165.28 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -39.39 158.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.09 -179.92 8.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 28' ' ' VAL . 1.8 mt -46.28 -50.36 16.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 125' ' ' LEU . 6.2 mp -51.08 -56.47 12.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.63 -35.09 61.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 114' ' ' LEU . 4.2 mp -59.97 -73.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.19 -27.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 127' ' ' LEU . 12.1 tt0 -59.38 -60.78 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -48.82 -45.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.434 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 38.8 mtt -58.27 -54.48 46.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.65 -29.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.94 -63.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 t -43.0 -40.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.621 ' HD2' HG21 ' A' ' 70' ' ' ILE . 6.2 m-85 -89.49 -30.58 18.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.4 -18.87 70.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.386 1.054 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.73 -41.02 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -146.07 118.42 5.06 Favored Pre-proline 0 N--CA 1.45 -0.462 0 O-C-N 124.132 0.895 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.66 113.46 3.8 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.559 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 17.8 Cg_endo -75.22 -0.29 9.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.41 1.742 . . . . 0.0 110.786 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 95' ' ' MET . 3.5 t -76.19 -25.79 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 124.076 0.86 . . . . 0.0 109.17 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' LYS . 2.5 t80 -66.28 -170.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.173 0.921 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.569 ' HB2' HG21 ' A' ' 96' ' ' THR . 8.6 t -128.55 61.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 62.02 137.96 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.362 1.264 0 O-C-N 124.607 1.846 . . . . 0.0 111.033 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.58 -60.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.406 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 5' ' ' GLU . 2.5 p -179.81 -152.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.57 1.169 . . . . 0.0 109.893 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' N ' ' OG ' ' A' ' 4' ' ' SER . 5.4 pt-20 -57.79 -17.11 13.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.289 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -54.59 7.42 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.412 1.07 . . . . 0.0 109.764 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -64.15 -54.81 27.99 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.348 -179.618 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.589 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.4 mm? -48.96 -45.75 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.17 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.523 ' HA ' HG22 ' A' ' 12' ' ' VAL . 2.8 tttt -65.37 -58.93 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 0.0 109.109 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -52.87 -24.65 9.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.209 0.943 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLN . 22.6 mtt -81.76 -43.14 18.79 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.132 0.895 . . . . 0.0 111.247 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 8' ' ' LEU . 31.8 m -89.49 13.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 t -78.83 -38.25 38.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.087 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -72.6 -28.46 62.8 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.848 1.343 . . . . 0.0 108.854 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -58.31 145.41 37.99 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.711 1.257 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 1.8 ttpt -82.42 -57.35 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 79' ' ' THR . 17.4 m-85 -84.99 44.96 1.12 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.649 1.218 . . . . 0.0 111.041 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HE ' HG21 ' A' ' 22' ' ' VAL . 11.5 ttt180 -56.09 -67.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.141 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -28.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.376 1.047 . . . . 0.0 109.488 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -81.78 -49.75 10.04 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' ARG . 15.8 m -63.15 -51.01 68.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.486 HG21 ' HE ' ' A' ' 18' ' ' ARG . 3.0 t -58.52 -42.99 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 O-C-N 124.5 1.125 . . . . 0.0 109.505 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.09 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.394 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.5 tp10 -61.75 -35.72 78.92 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 124.569 1.168 . . . . 0.0 110.383 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -69.75 -59.79 2.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.648 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.76 -39.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.284 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.429 HD21 HD21 ' A' ' 125' ' ' LEU . 4.1 t-20 -70.77 -61.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 24' ' ' GLU . 22.1 t -39.37 -54.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.331 1.019 . . . . 0.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.8 pt -65.19 -55.2 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.4 m -44.95 -45.08 10.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.829 1.331 . . . . 0.0 109.937 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -41.5 65.2 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.795 1.31 . . . . 0.0 109.18 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.9 m-85 -128.88 86.2 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -41.07 69.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.915 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -41.71 -45.82 3.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.281 0.988 . . . . 0.0 109.435 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.427 HD21 HD11 ' A' ' 72' ' ' ILE . 7.9 mp -65.13 131.1 45.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.622 1.201 . . . . 0.0 109.303 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -123.67 128.84 25.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.62 1.2 . . . . 0.0 109.472 179.673 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.85 142.28 28.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.563 1.823 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 39' ' ' LEU . 14.3 t -130.27 164.8 32.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.589 1.18 . . . . 0.0 109.203 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.8 tm? -127.56 109.82 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.033 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.14 122.09 46.78 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.7 p -98.81 135.46 40.24 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.786 1.304 . . . . 0.0 110.104 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.7 168.96 18.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -108.66 133.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.422 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' ASP . 13.8 m-85 -68.47 58.54 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.376 1.048 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 t30 69.82 -60.28 0.48 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.392 1.058 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -140.46 -41.09 0.42 Allowed 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.793 1.308 . . . . 0.0 109.162 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -27.23 -71.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.308 1.005 . . . . 0.0 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.16 176.73 0.04 OUTLIER 'General case' 0 C--O 1.238 0.46 0 O-C-N 124.751 0.912 . . . . 0.0 110.334 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.6 p -72.6 159.27 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.159 0.912 . . . . 0.0 109.965 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 162.94 39.27 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.349 1.031 . . . . 0.0 110.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.768 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.7 mp0 -107.08 120.29 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.616 1.197 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.768 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.2 mm? -131.17 118.82 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.7 ttp -79.46 156.41 27.86 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.39 132.45 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.606 HD12 HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -88.86 119.69 29.58 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.316 1.01 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.2 m -124.17 132.24 53.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 124.459 1.1 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.76 40.54 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.365 1.041 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -120.67 117.26 27.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.631 HG23 ' HD2' ' A' ' 60' ' ' PRO . 30.3 mt -97.02 141.47 23.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 108.982 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 59' ' ' ILE . 19.2 Cg_endo -74.82 128.85 11.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.587 1.835 . . . . 0.0 111.173 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.25 115.1 15.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.618 1.199 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 17.8 Cg_endo -75.4 124.09 8.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.409 1.742 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -93.18 -65.26 1.01 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.89 58.97 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.78 -20.45 36.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 19.3 m-80 -109.37 168.4 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.716 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.9 m -118.92 128.81 54.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.179 0.925 . . . . 0.0 110.604 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -105.88 157.91 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.264 0.977 . . . . 0.0 111.043 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -108.93 89.69 3.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.342 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.748 HG21 ' HD2' ' A' ' 135' ' ' PHE . 29.1 mm -79.96 114.31 45.31 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.12 139.7 24.29 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.385 1.729 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.427 HD11 HD21 ' A' ' 35' ' ' LEU . 1.4 pp -137.76 146.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 O-C-N 124.372 1.045 . . . . 0.0 109.228 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.8 t -134.79 132.75 39.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.472 1.108 . . . . 0.0 108.219 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 HD12 ' A' ' 55' ' ' LEU . 2.1 tm? -118.88 102.02 8.48 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 124.535 1.147 . . . . 0.0 109.441 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -70.11 147.69 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.1 mt -131.42 171.73 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.71 178.4 7.66 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.535 1.147 . . . . 0.0 109.391 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.66 -31.39 19.79 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.406 1.066 . . . . 0.0 109.408 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.569 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER 176.51 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.51 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -121.97 160.6 46.5 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 19.8 Cg_endo -74.86 -55.44 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.176 -0.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' C ' ' HD2' ' A' ' 84' ' ' PRO . 7.6 m-85 -78.38 115.66 18.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.195 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 m-20 -51.28 -45.72 89.48 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.462 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.0 149.59 36.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CH2' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.0 164.61 33.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.472 ' O ' HD22 ' A' ' 74' ' ' LEU . 3.0 mp -104.35 140.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.1 m -92.7 149.71 21.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -160.86 156.89 25.74 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.72 1.262 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 107' ' ' GLY . 34.0 m -123.02 99.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.841 1.338 . . . . 0.0 109.194 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -66.79 112.7 10.3 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.169 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.765 ' HB3' HD12 ' A' ' 97' ' ' ILE . 18.1 Cg_endo -75.11 -177.06 3.22 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.299 1.684 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -139.5 -173.81 3.71 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.696 1.247 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -81.73 -15.61 53.8 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.534 1.146 . . . . 0.0 109.785 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 -46.62 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.135 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.52 174.28 0.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.513 1.133 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -128.43 -41.89 1.52 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.532 1.145 . . . . 0.0 110.115 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER 73.58 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -110.85 166.25 11.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.35 1.032 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.0 p -109.58 135.8 49.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.679 1.237 . . . . 0.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.74 -161.29 17.0 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 3.8 mttm -99.89 -17.28 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.331 0.665 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.416 ' CD2' HD23 ' A' ' 111' ' ' LEU . 0.8 OUTLIER -109.88 -6.19 15.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.81 -41.44 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.519 1.137 . . . . 0.0 109.043 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.8 -169.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.355 1.034 . . . . 0.0 109.28 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.12 -18.64 14.85 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.205 0.941 . . . . 0.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -100.17 26.82 6.11 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 124.316 1.01 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.905 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 49.28 24.09 4.73 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.648 1.218 . . . . 0.0 111.007 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.558 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 18.1 tttt -78.61 141.87 37.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.497 ' CG2' HD12 ' A' ' 111' ' ' LEU . 8.0 mm -89.42 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 108' ' ' LYS . 1.5 m-30 -98.06 44.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.063 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.497 HD12 ' CG2' ' A' ' 109' ' ' ILE . 43.9 mt -70.9 155.08 93.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.55 10.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.94 -57.93 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -35.86 79.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -64.96 -42.97 94.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.5 30.76 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CH2' ' HD2' ' A' ' 85' ' ' PRO . 3.8 t90 -81.7 117.09 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.33 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 76.05 161.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.65 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.555 ' HA ' ' CG ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.01 1.32 15.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.018 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.43 ' N ' ' HA ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -85.69 41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.446 ' HA ' ' NE1' ' A' ' 117' ' ' TRP . 63.1 p -93.34 114.0 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 122' ' ' SER . 0.0 OUTLIER 167.35 134.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD13 ' HG2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -62.73 -21.03 65.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 27' ' ' ASN . 4.9 mp -63.79 -54.4 35.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.69 -28.94 66.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.93 -74.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.459 ' H ' HD12 ' A' ' 128' ' ' ILE . 2.8 mp -48.7 -23.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -59.63 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -47.23 -50.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.51 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 53.8 mtt -54.67 -52.99 60.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.46 -32.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -90.75 -62.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.8 t -41.23 -45.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.748 ' HD2' HG21 ' A' ' 70' ' ' ILE . 19.9 m-85 -82.98 -32.74 26.87 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 124.504 1.128 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.82 -14.83 56.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.349 1.031 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -90.08 -43.61 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -169.96 160.6 6.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 117.01 4.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.566 1.824 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.24 0.38 9.08 Favored 'Trans proline' 0 C--N 1.356 0.962 0 O-C-N 124.528 1.804 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.33 122.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 143' ' ' SER . 66.2 t80 -178.31 175.41 1.19 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.713 1.258 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.507 ' N ' ' CD2' ' A' ' 142' ' ' PHE . 0.3 OUTLIER -82.77 53.77 2.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.811 1.32 . . . . 0.0 110.521 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.34 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.08 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.607 ' O ' HG22 ' A' ' 3' ' ' VAL . 5.6 p -176.75 45.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.622 1.201 . . . . 0.0 109.126 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.5 m -150.64 -44.69 0.12 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.086 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.96 -32.85 6.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.635 1.209 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -49.72 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.49 1.119 . . . . 0.0 109.818 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -42.97 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.932 1.395 . . . . 0.0 109.981 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -42.87 82.09 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.624 1.203 . . . . 0.0 109.297 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' SER . 5.5 ttpt -54.13 -54.68 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.317 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -29.49 61.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.588 1.18 . . . . 0.0 109.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.83 61.08 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.148 0.905 . . . . 0.0 111.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 m -96.12 15.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 O-C-N 124.915 1.384 . . . . 0.0 109.44 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LYS . 29.3 t -77.2 -9.31 58.7 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.53 1.144 . . . . 0.0 109.879 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -89.18 -37.3 15.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.439 1.087 . . . . 0.0 108.998 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.4 ' CZ ' ' HG2' ' A' ' 53' ' ' MET . 1.9 m-85 -38.19 123.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 111.135 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.35 -45.91 83.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 14.3 m-85 -97.46 32.51 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.711 1.257 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -44.91 18.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 1.175 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -80.31 -47.55 14.35 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -59.74 -54.13 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.93 -41.7 80.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -61.13 -51.63 68.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 tp10 -62.2 -31.99 72.58 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.449 HG22 HD13 ' A' ' 29' ' ' ILE . 20.2 m -74.25 -57.92 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.543 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.14 -41.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.482 ' ND2' HD11 ' A' ' 125' ' ' LEU . 33.5 t-20 -73.43 -53.86 9.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.352 1.033 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 24' ' ' GLU . 20.3 t -45.77 -51.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.4 pt -68.99 -53.44 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.1 m -47.68 -42.96 26.04 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.597 1.186 . . . . 0.0 110.643 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -38.81 71.33 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CE2' HG21 ' A' ' 128' ' ' ILE . 58.4 m-85 -130.1 88.07 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -49.87 -37.92 33.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 124.517 1.136 . . . . 0.0 109.845 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.84 -47.64 42.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 109.229 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.25 127.96 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.382 1.051 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.4 mmtp -126.83 144.6 50.66 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.09 146.16 31.99 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.502 1.79 . . . . 0.0 110.938 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 39' ' ' LEU . 42.6 t -136.02 168.42 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.148 0.905 . . . . 0.0 109.152 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -131.22 112.27 12.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.688 1.243 . . . . 0.0 109.231 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -124.41 108.69 12.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -94.66 123.6 38.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 125.017 1.448 . . . . 0.0 110.023 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -99.81 148.54 24.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.646 1.216 . . . . 0.0 110.786 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -110.49 131.97 60.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 124.349 1.031 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 46' ' ' ASP . 9.9 m-85 -83.88 77.76 9.84 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 67.34 -68.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.55 1.156 . . . . 0.0 109.181 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.2 m-20 -174.5 35.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.141 0.9 . . . . 0.0 109.378 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -102.91 -24.04 8.31 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 124.587 1.179 . . . . 0.0 110.816 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 160.87 -178.53 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.516 0.774 . . . . 0.0 110.184 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 p -131.18 127.73 38.56 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.66 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HD2' HD21 ' A' ' 52' ' ' LEU . 10.1 ptt180 -106.43 128.22 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.923 1.389 . . . . 0.0 109.956 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HB2' HD11 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.88 103.05 6.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.82 1.325 . . . . 0.0 110.477 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.503 HD21 ' HD2' ' A' ' 50' ' ' ARG . 3.8 mm? -116.04 119.99 37.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.4 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 16.2 ptm -81.35 149.38 28.92 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.749 1.281 . . . . 0.0 111.017 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -134.47 141.66 46.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.4 mt -101.42 112.6 25.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -123.69 154.99 38.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.14 176.26 45.1 Favored Glycine 0 CA--C 1.532 1.132 0 O-C-N 124.419 1.075 . . . . 0.0 110.979 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -118.83 118.79 32.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.724 HG23 ' HD2' ' A' ' 60' ' ' PRO . 83.5 mt -89.83 142.5 29.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.699 1.25 . . . . 0.0 109.066 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 59' ' ' ILE . 17.7 Cg_endo -75.24 109.88 3.0 Favored 'Trans proline' 0 C--N 1.363 1.305 0 O-C-N 124.81 1.953 . . . . 0.0 111.027 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 61' ' ' VAL . 13.0 t -114.78 93.25 32.95 Favored Pre-proline 0 N--CA 1.453 -0.298 0 O-C-N 124.647 1.217 . . . . 0.0 109.116 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -75.49 153.49 39.52 Favored 'Trans proline' 0 C--N 1.363 1.296 0 O-C-N 124.634 1.86 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -155.61 113.31 3.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.21 35.85 18.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.353 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.95 2.25 84.13 Favored Glycine 0 CA--C 1.526 0.747 0 O-C-N 124.67 1.232 . . . . 0.0 111.148 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 11.9 m-20 -91.48 -178.34 5.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.073 0.513 . . . . 0.0 109.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.1 m -148.99 121.31 8.41 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.183 0.927 . . . . 0.0 110.439 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.69 161.45 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -117.17 84.91 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.498 HG21 ' HD2' ' A' ' 135' ' ' PHE . 4.3 mm -80.65 114.1 45.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 O-C-N 124.539 1.149 . . . . 0.0 109.395 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 151.92 40.14 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.509 1.794 . . . . 0.0 111.167 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.55 154.94 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.419 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.0 t -135.52 141.26 45.22 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.427 1.079 . . . . 0.0 108.256 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 140.66 47.52 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.988 1.43 . . . . 0.0 109.329 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 73.0 m95 -109.05 133.0 53.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 85' ' ' PRO . 1.5 mm? -111.74 171.53 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.984 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -148.66 169.06 21.23 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 124.494 1.121 . . . . 0.0 109.447 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.96 -37.63 29.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.534 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 1.7 t -176.08 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 31.9 m-85 -99.56 162.57 20.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.8 Cg_endo -74.89 -55.96 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.129 -2.446 . . . . 0.0 110.987 -0.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 96.1 m-85 -71.94 -71.24 0.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.753 1.283 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.984 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER 160.08 -50.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 124.413 1.07 . . . . 0.0 109.372 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 151.08 39.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.04 167.58 26.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -104.19 155.02 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.455 ' CB ' ' HB ' ' A' ' 109' ' ' ILE . 87.3 m -95.74 142.46 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -154.69 176.12 12.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 111.074 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.78 160.18 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.663 1.227 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 92.22 4.21 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 125.072 1.482 . . . . 0.0 109.197 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.756 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.35 174.65 12.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 O-C-N 124.316 1.693 . . . . 0.0 110.763 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -174.59 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.388 1.055 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -30.79 19.71 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.491 1.119 . . . . 0.0 110.124 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -54.06 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.945 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -79.78 -174.9 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.678 HG21 ' OG ' ' A' ' 143' ' ' SER . 8.8 t -125.3 -160.97 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.427 1.079 . . . . 0.0 110.18 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.756 HD12 ' HG3' ' A' ' 91' ' ' PRO . 4.7 tt -127.67 145.13 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 140' ' ' PRO . 7.3 tttp -114.07 81.52 1.55 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.621 HG22 HG12 ' A' ' 103' ' ' VAL . 8.3 p -82.51 138.83 34.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.293 0.996 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.25 -89.55 0.09 OUTLIER Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.484 1.115 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -43.54 -72.89 0.05 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.435 ' O ' ' CE1' ' A' ' 110' ' ' TYR . 0.5 OUTLIER -120.24 -39.95 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.805 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.722 HG21 ' HB2' ' A' ' 140' ' ' PRO . 55.2 t -55.75 116.76 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.371 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -168.62 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.87 61.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.72 1.262 . . . . 0.0 109.259 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -108.61 22.36 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.609 1.193 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 50.89 33.77 28.93 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 8.8 tttt -90.77 143.12 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 0.835 . . . . 0.0 109.435 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.625 ' CG2' HD12 ' A' ' 111' ' ' LEU . 33.6 mm -102.1 99.3 8.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.899 1.374 . . . . 0.0 109.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 28.6 p90 -109.05 39.83 1.96 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.625 HD12 ' CG2' ' A' ' 109' ' ' ILE . 3.9 mt -42.86 155.09 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.07 10.31 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -47.26 70.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -55.81 -42.27 75.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -40.39 95.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.601 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -102.54 34.48 2.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.662 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 2.8 t90 -80.88 118.73 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.8 OUTLIER -121.66 76.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -41.41 162.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.528 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 1.94 15.39 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.059 -2.475 . . . . 0.0 111.033 0.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.3 mp0 -32.65 -63.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -92.94 172.67 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -178.51 169.36 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.74 -36.47 72.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.482 HD11 ' ND2' ' A' ' 27' ' ' ASN . 3.0 mp -61.31 -56.79 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.16 -33.93 88.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 130' ' ' VAL . 15.2 mt -55.01 -56.57 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.786 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.581 HG21 ' CE2' ' A' ' 32' ' ' TYR . 2.0 mp -68.49 -17.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -56.56 4.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 127' ' ' LEU . 1.8 p -51.14 -35.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.58 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 5.7 mtt -66.33 -54.78 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.418 HG13 HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -45.38 -32.27 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -87.34 -61.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 t -43.95 -48.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 131' ' ' MET . 4.6 m-85 -74.31 -34.06 63.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.87 -19.54 63.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.279 0.987 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.7 -50.82 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.386 0.698 . . . . 0.0 109.338 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.36 114.09 10.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.407 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 141' ' ' VAL . 17.8 Cg_endo -75.13 113.59 3.82 Favored 'Trans proline' 0 C--N 1.356 0.948 0 O-C-N 124.411 1.743 . . . . 0.0 111.058 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.722 ' HB2' HG21 ' A' ' 103' ' ' VAL . 17.9 Cg_endo -75.22 33.78 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.444 1.76 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 139' ' ' PRO . 25.0 t -108.77 -15.54 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.95 -168.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.678 ' OG ' HG21 ' A' ' 96' ' ' THR . 0.5 OUTLIER -127.01 35.24 4.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.499 1.125 . . . . 0.0 110.21 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 66.76 127.89 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.573 1.17 . . . . 0.0 110.483 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.83 -57.82 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 109.105 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.38 -161.7 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 124.634 1.209 . . . . 0.0 109.899 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -46.45 -24.53 0.52 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.02 -53.99 31.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.47 -39.74 91.99 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.637 1.211 . . . . 0.0 110.532 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -61.69 -48.17 81.98 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -48.99 -56.82 7.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -33.69 34.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.147 0.905 . . . . 0.0 109.796 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.485 ' HE1' HD23 ' A' ' 39' ' ' LEU . 9.1 tmm? -75.96 -43.86 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 9' ' ' LYS . 35.5 m -88.02 13.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.525 1.14 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 31.2 t -62.4 -25.33 67.88 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 124.619 1.199 . . . . 0.0 109.876 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -27.36 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.871 1.357 . . . . 0.0 109.415 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.67 ' OH ' HD13 ' A' ' 52' ' ' LEU . 1.1 m-85 -45.16 122.29 3.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -57.16 13.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.438 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 35.3 m-85 -92.1 39.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.661 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.45 -29.97 69.36 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.372 1.045 . . . . 0.0 110.092 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 3.5 t70 -78.16 -40.41 37.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.527 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -34.94 71.63 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -76.4 -55.26 5.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 18' ' ' ARG . 42.9 t -52.41 -38.23 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 124.458 1.099 . . . . 0.0 109.515 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -68.29 -49.19 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.8 -41.48 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 29' ' ' ILE . 3.0 m -61.12 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -42.07 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.667 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.712 ' OD1' HD11 ' A' ' 125' ' ' LEU . 6.0 t-20 -64.95 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.353 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 69.1 t -39.56 -30.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 55' ' ' LEU . 5.4 mm -73.77 -53.97 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.3 m -66.0 -42.25 89.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.62 -31.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.282 0.989 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ILE . 1.7 m-85 -124.72 -179.6 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -144.32 78.33 1.57 Allowed 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.563 1.165 . . . . 0.0 109.029 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t0 178.44 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.576 1.172 . . . . 0.0 109.217 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.596 HD12 ' HA3' ' A' ' 57' ' ' GLY . 4.2 mp -63.99 127.76 32.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.7 mtpt -116.39 130.41 24.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 124.649 1.218 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.6 Cg_endo -75.1 137.33 21.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.648 1.867 . . . . 0.0 111.099 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 39' ' ' LEU . 44.0 t -123.71 168.93 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.124 0.89 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -149.49 109.89 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' N ' HD22 ' A' ' 39' ' ' LEU . 23.7 t70 -133.51 134.22 43.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -95.59 145.73 25.01 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.971 1.419 . . . . 0.0 109.861 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.49 133.06 56.39 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.648 1.217 . . . . 0.0 110.89 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 43' ' ' VAL . 2.5 p -80.48 122.38 35.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 124.839 1.337 . . . . 0.0 109.123 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -85.12 142.87 29.21 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.51 1.131 . . . . 0.0 111.429 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.83 82.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.767 1.292 . . . . 0.0 109.308 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -177.11 -39.72 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.356 1.035 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.51 48.37 0.17 Allowed Glycine 0 CA--C 1.527 0.789 0 O-C-N 124.341 1.026 . . . . 0.0 111.475 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -168.95 144.36 3.3 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 124.424 0.72 . . . . 0.0 110.078 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p -120.95 138.14 54.28 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 124.132 0.895 . . . . 0.0 109.951 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 139.32 46.24 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.701 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -81.98 122.32 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.828 1.33 . . . . 0.0 109.927 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 51' ' ' GLU . 4.5 mm? -128.87 134.12 48.18 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.456 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -74.78 169.6 17.56 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.181 0.926 . . . . 0.0 110.95 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.602 ' OD1' ' CE3' ' A' ' 75' ' ' TRP . 14.8 m-80 -157.77 146.1 19.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.681 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.9 mt -122.86 107.42 11.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.598 1.186 . . . . 0.0 109.42 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -116.96 145.76 43.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.348 1.03 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.596 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . 174.18 -170.18 43.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -132.16 137.24 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.334 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 60' ' ' PRO . 5.3 mp -105.49 141.84 23.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.346 1.029 . . . . 0.0 109.442 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.5 Cg_endo -74.59 123.23 7.93 Favored 'Trans proline' 0 C--N 1.358 1.041 0 O-C-N 124.277 1.672 . . . . 0.0 111.024 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 70' ' ' ILE . 2.1 t -117.72 106.18 46.52 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.53 90.41 1.13 Allowed 'Trans proline' 0 C--N 1.365 1.404 0 O-C-N 124.73 1.911 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 11.0 t80 -79.93 77.82 6.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 1.3 mmt85 84.56 -42.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -165.25 -35.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -81.39 149.04 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.446 0.733 . . . . 0.0 109.565 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.7 m -102.05 125.63 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.36 1.038 . . . . 0.0 110.609 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -100.85 159.05 15.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 1.182 . . . . 0.0 110.948 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -114.38 80.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.221 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 139' ' ' PRO . 12.1 mm -72.63 113.98 26.02 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.754 1.284 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 72' ' ' ILE . 18.6 Cg_endo -75.01 142.14 27.46 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.433 1.754 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.5 pp -154.92 159.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 38.5 t -144.74 152.56 40.56 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.475 1.109 . . . . 0.0 108.16 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -135.72 145.64 46.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.4 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.602 ' CE3' ' OD1' ' A' ' 54' ' ' ASN . 47.6 m95 -111.78 129.74 56.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.0 mm? -84.85 168.84 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.012 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -152.69 158.98 43.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.613 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.9 m-20 -89.26 -33.95 16.79 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.617 1.198 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.41 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.2 t -161.73 -42.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.523 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -75.65 160.01 80.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.087 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.9 Cg_endo -75.06 -47.02 0.33 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.88 -2.55 . . . . 0.0 110.93 0.076 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 84.7 t80 -106.54 -35.73 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.012 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER 164.09 -51.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.04 152.95 41.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' HB2' HD23 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -75.08 -175.68 2.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.09 149.88 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.46 ' SG ' HD11 ' A' ' 74' ' ' LEU . 95.1 m -122.75 129.16 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 1.5 p90 -158.99 147.78 18.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.63 HG22 ' HA3' ' A' ' 107' ' ' GLY . 12.1 m -75.43 165.32 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.384 1.052 . . . . 0.0 109.239 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 68.08 7.74 Favored Pre-proline 0 C--N 1.321 -0.635 0 O-C-N 124.612 1.195 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.532 ' HD3' HG23 ' A' ' 89' ' ' VAL . 18.5 Cg_endo -74.88 178.24 7.47 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.828 1.962 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.6 p -82.68 -169.7 2.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.932 1.395 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -44.34 16.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.02 -52.44 65.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.593 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.439 ' HG2' ' CG1' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -58.17 177.26 0.13 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.6 p -133.64 -165.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.351 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.59 114.72 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 124.401 1.063 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -91.77 93.03 8.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.542 1.152 . . . . 0.0 109.205 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 p -40.21 139.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.704 1.253 . . . . 0.0 110.411 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.797 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -140.95 -148.26 5.07 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.661 1.225 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -41.85 64.47 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.79 0.935 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -108.87 -50.12 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.797 HG23 ' N ' ' A' ' 100' ' ' GLY . 9.4 m -55.4 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.65 1.219 . . . . 0.0 109.363 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.16 -173.02 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.682 1.239 . . . . 0.0 109.437 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.5 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.945 1.403 . . . . 0.0 109.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -78.13 -27.41 48.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 124.674 1.233 . . . . 0.0 109.419 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.63 ' HA3' HG22 ' A' ' 89' ' ' VAL . . . 114.58 -8.83 22.06 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.09 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 1.9 ttpt -55.11 129.93 40.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.886 HD11 ' HE2' ' A' ' 131' ' ' MET . 15.1 pt -106.86 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.313 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 32.6 p90 -117.69 54.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 111' ' ' LEU . 1.2 mp -39.61 151.09 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -34.82 3.57 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -54.87 -51.74 64.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.754 HD11 ' HG ' ' A' ' 127' ' ' LEU . 3.2 mm? -44.72 -59.39 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -47.8 -40.21 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.55 28.28 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.45 ' NE1' ' O ' ' A' ' 119' ' ' HIS . 6.5 t90 -115.49 130.16 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -167.12 40.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.4 m-70 171.9 162.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.622 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.1 Cg_endo -75.03 -8.69 23.85 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -155.61 47.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 p -43.49 125.34 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -175.05 -178.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mt -48.29 -45.25 34.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.712 HD11 ' OD1' ' A' ' 27' ' ' ASN . 3.9 mm? -46.56 -66.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.34 -39.35 64.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.754 ' HG ' HD11 ' A' ' 114' ' ' LEU . 1.3 mt -53.18 -62.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.91 -32.0 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -54.37 -57.04 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -54.12 -40.71 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.886 ' HE2' HD11 ' A' ' 109' ' ' ILE . 15.3 mtt -66.34 -25.0 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.63 -33.99 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 134' ' ' VAL . 48.6 t -88.72 -60.07 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 135' ' ' PHE . 4.0 t -39.96 -49.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 131' ' ' MET . 13.7 m-30 -80.08 -32.58 39.25 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 124.456 1.097 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.92 -14.57 52.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.345 1.028 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.44 -46.89 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.03 148.96 2.14 Favored Pre-proline 0 C--N 1.322 -0.597 0 O-C-N 124.831 1.332 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.58 ' HB3' HD11 ' A' ' 70' ' ' ILE . 18.3 Cg_endo -74.97 113.28 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HB2' HG11 ' A' ' 103' ' ' VAL . 18.4 Cg_endo -74.96 -13.94 21.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.548 1.815 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.439 ' CG1' ' HG2' ' A' ' 95' ' ' MET . 2.6 t -63.48 -18.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.829 1.331 . . . . 0.0 109.184 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.09 -178.23 3.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.254 0.971 . . . . 0.0 111.373 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.4 t -109.05 72.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.317 1.011 . . . . 0.0 110.075 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.31 113.7 11.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.187 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.219 0 O-C-N 124.116 1.587 . . . . 0.0 110.845 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.708 HG12 ' O ' ' A' ' 3' ' ' VAL . 42.6 t -142.53 61.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 O-C-N 124.285 0.99 . . . . 0.0 109.437 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.72 165.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -53.49 -37.36 62.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.409 179.728 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -49.05 -39.81 28.84 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 124.396 1.06 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -77.74 -50.64 11.98 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.551 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 8.6 tp -59.0 -19.48 43.95 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.817 1.323 . . . . 0.0 109.463 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' GLU . 1.2 tttt -81.1 -48.46 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.559 1.162 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -23.21 67.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.764 1.29 . . . . 0.0 109.217 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -42.99 18.21 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.079 0.862 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' LEU . 3.7 m -98.77 17.66 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.332 1.02 . . . . 0.0 109.53 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.27 -7.18 45.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.509 -179.777 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -37.69 11.45 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 125.087 1.492 . . . . 0.0 108.853 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -47.56 123.26 5.58 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 124.62 1.2 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -56.72 -64.11 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.116 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -85.26 43.42 1.01 Allowed 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.998 1.436 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 28.4 ptt180 -62.55 -39.8 94.79 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.456 1.098 . . . . 0.0 110.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.5 t70 -56.35 -37.21 69.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.331 1.02 . . . . 0.0 109.421 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.72 -41.08 46.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 7.1 m -65.01 -45.26 86.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.84 -37.65 79.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.58 1.175 . . . . 0.0 109.486 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -74.67 -46.01 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.4 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -67.2 -38.11 84.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 124.748 1.28 . . . . 0.0 110.384 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' THR . 5.0 m -64.38 -37.95 89.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.41 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -42.42 90.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.563 1.164 . . . . 0.0 109.174 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' VAL . 36.2 t-20 -69.6 -53.85 16.83 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 24' ' ' GLU . 35.6 t -40.78 -61.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' TYR . 1.9 pt -61.01 -56.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.196 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -42.8 -46.5 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.137 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 HD23 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -66.43 -45.84 78.52 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CE1' HD11 ' A' ' 132' ' ' ILE . 61.4 m-85 -128.03 114.31 16.92 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.603 1.189 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.78 61.24 6.34 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.606 1.191 . . . . 0.0 108.952 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 35' ' ' LEU . 21.4 p-10 -132.38 -51.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.682 1.239 . . . . 0.0 109.398 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 57' ' ' GLY . 3.4 mm? -67.62 117.33 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.643 1.214 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -97.78 136.64 21.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 19.6 Cg_endo -74.6 134.49 18.61 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.526 1.803 . . . . 0.0 111.336 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.75 159.35 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.32 105.86 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.599 1.187 . . . . 0.0 109.088 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' LEU . 19.5 t0 -129.67 127.83 41.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.8 p -102.02 149.29 24.39 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.725 1.265 . . . . 0.0 110.142 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -126.16 143.23 51.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.423 1.077 . . . . 0.0 110.911 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -96.81 145.24 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 O-C-N 124.831 1.332 . . . . 0.0 109.06 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' ASP . 5.8 m-85 -89.19 31.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.185 . . . . 0.0 111.284 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.9 m120 37.47 31.58 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.431 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' PHE . 16.3 t0 170.51 -54.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.104 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 -84.2 0.04 OUTLIER Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.568 1.168 . . . . 0.0 111.162 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.3 t 178.8 173.89 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.301 0.648 . . . . 0.0 109.766 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p -89.49 100.62 13.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.178 . . . . 0.0 109.833 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.83 134.73 37.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.374 1.046 . . . . 0.0 110.449 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.529 ' C ' HD22 ' A' ' 52' ' ' LEU . 19.0 mt-10 -80.33 114.22 19.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.846 1.341 . . . . 0.0 110.122 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 76' ' ' LEU . 4.5 mm? -120.84 138.23 54.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.366 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 ttm -82.06 133.76 35.3 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -123.52 130.9 53.37 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 124.356 1.035 . . . . 0.0 109.271 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD12 HD21 ' A' ' 76' ' ' LEU . 21.3 mt -105.39 109.45 21.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.429 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -116.47 140.21 49.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.7 1.25 . . . . 0.0 110.444 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' HD13 ' A' ' 35' ' ' LEU . . . -167.23 -170.73 32.44 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -131.01 117.9 19.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 0.823 . . . . 0.0 110.187 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 60' ' ' PRO . 95.3 mt -93.74 142.04 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.446 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.9 Cg_endo -74.61 123.63 8.23 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.441 1.758 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 135' ' ' PHE . 2.8 t -119.59 97.82 49.97 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.83 94.97 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.3 t80 -96.54 90.8 5.49 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER 88.05 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.415 1.072 . . . . 0.0 110.274 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.34 -28.28 0.2 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.412 1.07 . . . . 0.0 111.104 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.7 p30 -75.59 148.49 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.824 . . . . 0.0 109.13 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.6 m -99.05 124.66 44.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.296 0.997 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.94 157.73 17.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.102 . . . . 0.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -114.82 75.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.327 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.708 HG21 ' HD2' ' A' ' 135' ' ' PHE . 15.4 mm -73.86 114.13 29.66 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.1 17.45 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.543 1.812 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -130.75 151.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.054 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.9 t -133.97 135.13 43.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 108.169 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 85' ' ' PRO . 1.7 tm? -123.83 125.64 45.03 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.342 1.026 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -96.87 123.88 40.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.618 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.7 mm? -93.37 174.13 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 1.02 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -148.69 174.78 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.573 ' OD2' ' CE2' ' A' ' 80' ' ' TYR . 13.1 p-10 -92.44 -38.11 12.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 8.9 t -176.76 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' OD2' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -101.06 162.29 21.02 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.8 Cg_endo -74.64 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.227 -2.406 . . . . 0.0 111.074 -0.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.481 ' O ' ' ND2' ' A' ' 83' ' ' ASN . 72.1 m-85 -71.99 -69.99 0.36 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 1.02 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.4 OUTLIER 160.29 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 154.76 42.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' CB ' HD11 ' A' ' 74' ' ' LEU . 18.6 Cg_endo -74.91 166.01 30.16 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.402 ' O ' HD22 ' A' ' 74' ' ' LEU . 2.3 mp -104.4 127.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.496 ' HB3' ' HE2' ' A' ' 131' ' ' MET . 75.3 m -76.37 141.87 41.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -154.38 161.43 41.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 124.597 1.186 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.59 HG22 ' HA3' ' A' ' 107' ' ' GLY . 21.4 m -112.32 149.18 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.369 1.043 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -122.41 77.85 45.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD3' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 170.84 19.52 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.596 1.84 . . . . 0.0 110.961 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.6 p -116.01 -174.91 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.356 1.035 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.45 1.094 . . . . 0.0 109.871 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -51.76 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 176.71 1.26 Allowed 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.552 1.157 . . . . 0.0 111.227 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 142' ' ' PHE . 12.6 t -151.88 -155.82 0.65 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.526 1.141 . . . . 0.0 110.503 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.419 ' N ' ' OG1' ' A' ' 96' ' ' THR . 19.8 mt -138.95 130.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 108.975 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -95.3 80.72 3.56 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.7 p -39.02 135.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.203 0.94 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.72 -135.96 1.93 Allowed Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.701 1.251 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -71.03 0.54 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 124.969 1.041 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.596 ' NE2' HG23 ' A' ' 103' ' ' VAL . 2.4 p80 -79.97 -23.55 41.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.596 HG23 ' NE2' ' A' ' 102' ' ' HIS . 70.2 t -87.16 81.24 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.639 1.212 . . . . 0.0 109.377 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.33 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.58 -45.5 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -75.55 -12.25 60.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.559 1.162 . . . . 0.0 109.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.59 ' HA3' HG22 ' A' ' 89' ' ' VAL . . . 96.47 22.08 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.095 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.4 tttt -76.13 104.9 6.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.469 ' HB ' ' CB ' ' A' ' 87' ' ' CYS . 21.6 mm -60.79 93.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.94 84.52 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 114' ' ' LEU . 28.4 mt -92.49 112.79 57.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.3 19.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.05 -39.08 72.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 114' ' ' LEU . 1.4 pp -91.13 -5.77 54.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.2 t-80 -77.22 -42.06 38.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -99.98 23.92 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CE2' ' HB3' ' A' ' 122' ' ' SER . 6.4 t90 -129.49 -70.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.588 ' HD2' ' CD2' ' A' ' 119' ' ' HIS . 0.0 OUTLIER 30.8 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.625 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 59.8 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.625 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.913 0.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.28 -42.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -83.32 157.72 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.49 174.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.9 -46.82 2.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.437 1.086 . . . . 0.0 109.193 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 31' ' ' LEU . 2.5 mp -62.7 -53.52 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.19 -35.02 68.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 130' ' ' VAL . 35.9 mt -54.54 -72.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 128' ' ' ILE . 3.3 mp -49.97 -23.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.15 -58.38 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -50.04 -43.93 21.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.496 ' HE2' ' HB3' ' A' ' 87' ' ' CYS . 48.6 mtt -62.16 -52.27 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' A' ' 32' ' ' TYR . 1.9 mt -45.39 -32.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' VAL . 96.9 t -92.05 -63.41 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' VAL . 6.2 t -40.05 -43.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.708 ' HD2' HG21 ' A' ' 70' ' ' ILE . 7.9 m-85 -88.4 -30.52 19.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.3 -23.66 66.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.98 -51.13 6.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.767 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.77 152.97 21.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.289 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 63' ' ' TYR . 17.8 Cg_endo -75.34 122.57 7.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.65 1.868 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.7 -20.0 18.06 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.49 1.784 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.1 m -91.61 124.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.901 1.376 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 96' ' ' THR . 7.6 t80 -176.97 177.01 1.34 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.69 48.81 1.03 Allowed 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.356 1.035 . . . . 0.0 109.942 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ARG . . . . . 0.506 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . 4.5 ttm-85 -156.0 87.61 3.0 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.674 1.234 . . . . 0.0 110.059 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 O-C-N 124.695 1.892 . . . . 0.0 111.034 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.0 p -73.17 75.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.742 1.276 . . . . 0.0 109.232 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -20.38 13.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.45 1.094 . . . . 0.0 110.011 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.77 -50.59 68.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.158 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -60.72 -43.48 97.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.276 0.985 . . . . 0.0 110.279 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -48.02 80.82 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.78 ' O ' HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -48.61 -50.41 32.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.275 0.984 . . . . 0.0 109.292 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.4 tttp -51.24 -47.19 62.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -58.42 -23.43 57.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 39' ' ' LEU . 11.2 tmm? -87.96 -42.01 12.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.177 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 8' ' ' LEU . 1.1 m -69.74 -7.8 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -65.6 -15.28 62.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.715 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.21 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.471 ' CD1' ' OD2' ' A' ' 78' ' ' ASP . 1.5 m-85 -48.19 119.52 3.0 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.337 1.023 . . . . 0.0 111.044 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -47.12 23.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' CZ ' ' OG1' ' A' ' 79' ' ' THR . 10.2 m-85 -90.63 40.23 1.01 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.634 1.209 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.9 tmm_? -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.254 0.971 . . . . 0.0 110.085 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.95 -50.53 70.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.54 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' OE2' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -58.41 -52.84 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.235 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -57.34 -54.49 46.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.455 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' ARG . 44.4 t -55.49 -43.62 72.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.594 1.184 . . . . 0.0 109.143 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -65.61 -48.83 70.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' OE2' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -40.22 96.73 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.734 1.271 . . . . 0.0 110.288 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -62.82 -59.16 5.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -42.68 -44.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.839 1.337 . . . . 0.0 109.121 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.439 HD21 HD21 ' A' ' 125' ' ' LEU . 10.7 t-20 -69.93 -55.63 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.7 1.25 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.447 HG21 HD13 ' A' ' 124' ' ' LEU . 2.6 t -41.65 -57.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.284 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.2 pt -63.82 -56.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -43.27 -45.32 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -74.53 -45.54 45.06 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 124.703 1.252 . . . . 0.0 109.152 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 31' ' ' LEU . 84.7 m-85 -124.41 91.55 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -59.83 -47.34 86.12 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.63 1.206 . . . . 0.0 108.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -36.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.333 1.021 . . . . 0.0 109.08 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.68 131.03 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.044 . . . . 0.0 109.3 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.0 129.77 24.44 Favored Pre-proline 0 N--CA 1.449 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.614 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -74.39 136.77 22.24 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 O-C-N 124.216 1.64 . . . . 0.0 111.566 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.97 154.46 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.09 0.869 . . . . 0.0 109.224 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -130.1 115.99 17.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.138 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.848 ' N ' HD22 ' A' ' 39' ' ' LEU . 35.2 t70 -137.47 133.54 34.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.737 1.273 . . . . 0.0 109.372 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 13.4 p -82.36 123.65 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.76 1.287 . . . . 0.0 110.085 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -100.53 144.54 29.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.539 1.149 . . . . 0.0 111.204 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.09 148.0 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 O-C-N 124.374 1.046 . . . . 0.0 109.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.47 68.13 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.349 1.031 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.6 t30 56.36 37.54 28.92 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.425 1.078 . . . . 0.0 109.136 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER 75.74 23.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.169 0.918 . . . . 0.0 109.184 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -98.25 -11.18 49.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.177 0.923 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 164.34 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 0.713 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.2 p -150.17 120.22 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.769 1.293 . . . . 0.0 109.754 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -128.76 149.42 50.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.552 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.543 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -84.04 116.33 22.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.616 1.197 . . . . 0.0 110.468 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.543 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.1 mm? -126.95 134.96 50.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.85 1.344 . . . . 0.0 109.58 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.727 ' HB2' HD11 ' A' ' 8' ' ' LEU . 3.8 ppp? -80.28 137.3 36.6 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 124.027 0.829 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -125.22 121.07 33.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB2' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -91.91 116.61 29.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.412 ' HG1' ' HG ' ' A' ' 73' ' ' CYS . 54.7 m -121.16 148.22 44.51 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -175.66 47.77 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 p -133.24 122.88 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 0.827 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.545 HG22 ' CG1' ' A' ' 61' ' ' VAL . 35.1 mt -89.25 115.79 64.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.095 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.44 94.76 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.667 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.545 ' CG1' HG22 ' A' ' 59' ' ' ILE . 5.0 m -111.34 146.46 34.64 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.745 1.278 . . . . 0.0 109.072 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.9 Cg_endo -74.61 123.94 8.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.609 1.847 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.663 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 16.0 t80 -93.55 -49.69 5.77 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.361 1.038 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -163.1 72.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 -15.14 33.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 11.7 m120 -117.25 177.81 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 0.0 109.206 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -104.14 132.67 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.663 ' CE1' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -109.43 156.93 19.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -111.26 100.13 8.82 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.346 1.029 . . . . 0.0 109.252 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 135' ' ' PHE . 8.9 mm -92.63 112.34 55.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 114.71 4.08 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.33 1.7 . . . . 0.0 110.741 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 59' ' ' ILE . 2.5 pp -124.36 140.58 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.416 1.073 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 50.4 t -149.99 138.85 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.227 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.622 ' O ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -140.36 159.59 41.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 124.331 1.019 . . . . 0.0 109.386 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 50.9 m95 -115.79 144.45 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 53' ' ' MET . 10.3 mp -110.7 -177.92 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.934 HD11 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -142.3 -172.81 3.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 79' ' ' THR . 1.2 m-20 -109.94 -23.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.52 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER 167.17 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.102 . . . . 0.0 110.419 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -149.77 164.62 20.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.583 1.177 . . . . 0.0 110.92 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.88 -58.38 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.947 -0.328 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.0 m-85 -71.29 98.15 1.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.84 1.337 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.934 ' O ' HD11 ' A' ' 77' ' ' LEU . 8.3 t-20 -50.38 -45.72 83.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.149 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.91 142.66 28.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -75.09 163.99 34.07 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 104.25 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.34 133.8 33.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 108.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -159.43 147.64 17.6 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.618 1.199 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.483 HG23 HD11 ' A' ' 97' ' ' ILE . 23.2 m -91.27 123.13 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.31 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -66.29 117.87 47.68 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.31 1.006 . . . . 0.0 109.184 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' A' ' 97' ' ' ILE . 17.9 Cg_endo -75.17 168.24 25.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.21 1.637 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 91' ' ' PRO . 2.2 p -151.61 177.99 9.78 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 124.95 1.406 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -80.88 -42.28 21.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.968 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -58.87 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.96 166.34 23.45 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.392 1.058 . . . . 0.0 110.69 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER -113.1 -15.81 12.73 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.491 1.119 . . . . 0.0 110.496 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 0.1 OUTLIER 58.27 111.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.091 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.24 156.26 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 28.0 p -89.39 158.17 17.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.333 1.02 . . . . 0.0 110.558 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.866 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -156.97 -151.68 6.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.681 1.238 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -32.8 63.52 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.339 0.67 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.545 ' CD2' HD21 ' A' ' 111' ' ' LEU . 2.7 p80 -118.35 -44.96 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.554 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.909 HG11 ' CB ' ' A' ' 140' ' ' PRO . 6.4 m -60.03 101.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 109.083 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.8 -172.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.514 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.64 63.54 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.814 1.321 . . . . 0.0 109.463 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -95.89 -23.71 16.76 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.627 1.204 . . . . 0.0 109.195 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 89' ' ' VAL . . . 115.4 -12.83 18.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.641 1.213 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -52.92 113.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.68 0.871 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.49 107.16 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.143 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -103.62 42.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 102' ' ' HIS . 4.0 mt -44.18 157.21 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.87 20.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.33 -52.53 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.03 -39.04 93.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -58.58 -51.58 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.99 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.655 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 5.5 t90 -80.81 99.57 8.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.599 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -130.22 5.74 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.599 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.11 164.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.584 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -30.81 5.74 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.03 -0.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.492 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -29.98 -61.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 4.8 m -80.84 162.26 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 177.77 169.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -65.72 -39.56 91.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 27' ' ' ASN . 6.8 mp -59.63 -57.97 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.78 -34.45 70.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.655 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 1.4 mp -59.18 -41.48 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -37.56 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 132' ' ' ILE . 1.4 tt0 -58.91 -54.99 40.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.207 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 1.0 OUTLIER -44.99 -47.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.556 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 24.7 mtt -57.0 -51.0 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 129' ' ' GLN . 1.5 tt -45.47 -32.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.478 HG23 HG22 ' A' ' 132' ' ' ILE . 53.0 t -92.26 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.1 t -42.49 -42.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 70' ' ' ILE . 8.2 m-85 -90.07 -29.16 18.54 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.442 1.089 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.27 72.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.393 1.058 . . . . 0.0 111.007 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -26.59 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.73 119.48 0.2 Allowed Pre-proline 0 N--CA 1.45 -0.458 0 O-C-N 124.295 0.997 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 19.1 Cg_endo -74.73 146.32 33.71 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.707 1.898 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.909 ' CB ' HG11 ' A' ' 103' ' ' VAL . 18.2 Cg_endo -74.93 -30.11 7.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.9 m -74.72 125.33 34.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 125.123 1.514 . . . . 0.0 109.22 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -135.93 166.04 24.26 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.844 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.574 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 1.1 t 179.62 38.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.888 1.367 . . . . 0.0 110.227 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.8 ttm105 -115.83 89.26 23.35 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 124.7 1.25 . . . . 0.0 110.409 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.674 1.881 . . . . 0.0 110.986 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 4' ' ' SER . 41.3 t 70.27 -58.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.634 1.209 . . . . 0.0 108.918 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER 81.78 139.92 0.07 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.188 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.37 -37.27 67.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 124.895 1.372 . . . . 0.0 110.391 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -41.72 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.689 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 11' ' ' MET . 3.4 tt0 -74.07 -51.23 16.42 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 124.636 1.21 . . . . 0.0 110.188 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -38.14 17.67 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.654 1.221 . . . . 0.0 109.098 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -65.14 -58.5 5.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.8 -20.53 61.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 124.396 1.06 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -76.92 -43.08 36.85 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.742 1.276 . . . . 0.0 111.087 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -106.83 19.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 124.718 1.261 . . . . 0.0 109.349 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.5 m -75.2 -19.57 59.74 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.637 1.211 . . . . 0.0 109.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -82.23 -39.95 22.32 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 124.949 1.406 . . . . 0.0 109.459 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 5.2 m-85 -40.71 132.39 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -50.21 51.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.05 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -94.49 38.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -51.27 -63.3 1.17 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.379 1.05 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.01 -33.79 8.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -49.26 27.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.395 1.06 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -54.98 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.4 t -51.79 -45.38 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -55.71 -53.46 56.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 124' ' ' LEU . 1.2 mp0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.869 1.356 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' HG12 ' A' ' 29' ' ' ILE . 18.5 m -67.86 -52.13 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.54 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -57.59 -36.26 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' CG ' HD11 ' A' ' 125' ' ' LEU . 57.1 t-20 -76.18 -51.99 11.0 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.686 1.241 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG11 HD13 ' A' ' 55' ' ' LEU . 2.3 t -48.24 -43.58 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 26' ' ' VAL . 3.5 pt -76.67 -53.29 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.221 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.6 m -49.5 -40.8 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.47 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD13 HD12 ' A' ' 125' ' ' LEU . 5.5 tt -64.2 -40.31 95.81 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.78 1.3 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -98.25 -172.11 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 32' ' ' TYR . 52.2 mmtt -146.75 55.34 1.12 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.646 1.216 . . . . 0.0 109.462 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -172.81 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.249 0.968 . . . . 0.0 109.47 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.635 HD23 ' CD2' ' A' ' 32' ' ' TYR . 3.6 mm? -62.44 117.64 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.49 145.09 39.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.83 138.67 23.78 Favored 'Trans proline' 0 C--N 1.363 1.31 0 O-C-N 124.34 1.705 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 39' ' ' LEU . 12.4 t -137.82 164.4 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 51' ' ' GLU . 1.6 tm? -129.82 128.89 43.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 0.0 109.219 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.29 121.52 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.697 1.248 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.26 148.41 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 110.277 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -118.37 125.64 50.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 48' ' ' SER . 71.3 t -64.91 148.85 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 O-C-N 124.292 0.995 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -124.76 143.18 50.93 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.69 1.244 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.25 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 108.819 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -176.6 40.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.246 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.8 -48.57 0.11 Allowed Glycine 0 CA--C 1.533 1.193 0 O-C-N 124.435 1.084 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 43' ' ' VAL . 33.4 t -56.06 177.24 0.06 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.592 0.819 . . . . 0.0 109.498 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -179.37 149.72 0.41 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.817 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.36 133.28 38.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.844 1.34 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.677 ' C ' HD22 ' A' ' 52' ' ' LEU . 3.0 pt-20 -86.45 120.02 27.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 110.744 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.677 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.6 mm? -129.48 125.17 35.77 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.189 0.931 . . . . 0.0 109.427 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 148.07 52.39 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 125.063 1.477 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -141.47 137.21 31.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.424 HD13 HG11 ' A' ' 28' ' ' VAL . 15.2 mt -96.62 113.27 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.453 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -119.66 130.16 54.92 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.942 1.402 . . . . 0.0 110.187 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.676 ' O ' HD13 ' A' ' 72' ' ' ILE . . . 178.31 175.44 45.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.4 p -120.38 159.26 25.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.61 145.91 57.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.216 . . . . 0.0 109.027 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.57 119.49 5.76 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.363 1.717 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.74 113.53 33.16 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 124.486 1.116 . . . . 0.0 109.453 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -75.04 108.95 2.84 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.645 1.866 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 t80 -104.65 78.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 85.62 -15.75 0.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.67 -25.32 0.74 Allowed Glycine 0 CA--C 1.527 0.783 0 O-C-N 124.493 1.121 . . . . 0.0 111.172 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -81.02 153.38 27.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.34 0.671 . . . . 0.0 109.356 -179.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.8 m -103.26 125.07 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.72 158.25 18.29 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.674 1.234 . . . . 0.0 110.97 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -112.6 76.14 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.394 1.059 . . . . 0.0 109.354 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 139' ' ' PRO . 48.4 mm -66.42 112.99 10.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.71 24.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -143.56 141.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.349 1.031 . . . . 0.0 109.429 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 9.4 t -126.75 145.66 50.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 108.4 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.0 156.71 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.639 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 69.6 m95 -122.24 134.09 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.2 mm? -103.96 167.67 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.998 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -147.24 169.86 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.159 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.53 -36.94 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -166.66 -42.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.485 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -92.18 166.02 18.43 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.55 1.156 . . . . 0.0 111.167 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -75.07 -43.64 0.66 Allowed 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.799 -0.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.27 -63.28 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.59 1.181 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.998 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER 164.39 -51.49 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.285 0.99 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 151.43 39.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.461 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.99 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.34 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 131' ' ' MET . 59.7 m -116.33 129.73 56.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 4.3 p90 -151.55 141.71 22.26 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 97' ' ' ILE . 10.6 m -67.68 176.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.371 1.044 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' CE ' ' HD2' ' A' ' 91' ' ' PRO . 6.5 tptm -139.76 135.73 16.91 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.61 1.194 . . . . 0.0 109.194 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.463 ' HD2' ' CE ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.23 164.31 33.18 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.597 1.84 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -116.86 -151.93 0.49 Allowed 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.94 -56.09 2.3 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.854 1.346 . . . . 0.0 110.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -42.98 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.688 1.242 . . . . 0.0 109.953 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.57 171.29 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.919 HG22 ' O ' ' A' ' 142' ' ' PHE . 13.2 t -119.89 -160.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.569 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 97' ' ' ILE . 2.2 tt -135.4 61.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.272 0.983 . . . . 0.0 109.29 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' HG11 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -39.72 135.5 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.168 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 105' ' ' ALA . 1.2 p -102.49 147.6 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.799 1.312 . . . . 0.0 110.494 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.27 -118.12 0.75 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.711 1.257 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -70.17 0.74 Allowed 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 124.413 0.714 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.97 ' CE1' HG23 ' A' ' 103' ' ' VAL . 11.1 p-80 -73.27 -30.63 63.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.97 HG23 ' CE1' ' A' ' 102' ' ' HIS . 59.8 t -84.92 78.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.407 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.876 1.36 . . . . 0.0 109.415 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 99' ' ' THR . . . -71.73 -34.4 69.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 109.124 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -89.17 14.84 9.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 124.509 1.13 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.628 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 60.46 20.77 56.22 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 124.652 1.22 . . . . 0.0 110.968 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -73.6 133.76 43.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.779 0.929 . . . . 0.0 109.309 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 111' ' ' LEU . 22.1 mm -70.75 95.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.78 31.95 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 109' ' ' ILE . 14.4 mt -44.83 156.29 0.36 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -46.03 -55.23 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.03 -54.64 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -51.36 -52.63 43.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.631 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.53 26.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.511 ' CZ2' ' N ' ' A' ' 122' ' ' SER . 11.9 t90 -131.74 130.23 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.615 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -153.4 74.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.72 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 61.1 170.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.596 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.72 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.8 Cg_endo -74.92 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.075 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.538 ' C ' ' O ' ' A' ' 120' ' ' PRO . 3.5 mt-30 -26.67 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.511 ' N ' ' CZ2' ' A' ' 117' ' ' TRP . 51.6 p -42.96 130.83 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.2 m-20 -178.92 170.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 124' ' ' LEU . 1.8 mm? -56.8 -63.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.674 HD12 HD13 ' A' ' 31' ' ' LEU . 2.6 mm? -49.62 -52.45 30.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.76 -28.58 68.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 123' ' ' ASP . 4.8 mt -71.11 -37.52 72.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 132' ' ' ILE . 15.5 mm -75.61 -18.25 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -54.24 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.8 OUTLIER -55.06 -48.23 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.549 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 8.5 mtt -60.3 -40.92 92.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 128' ' ' ILE . 7.2 mt -58.32 -31.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.49 -60.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' VAL . . . . . 0.526 HG12 ' CD1' ' A' ' 135' ' ' PHE . 3.4 t -42.74 -47.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 131' ' ' MET . 13.2 m-30 -83.96 -28.56 27.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.34 76.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.338 1.023 . . . . 0.0 110.985 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -43.82 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -177.96 138.53 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.565 0 O-C-N 124.351 1.032 . . . . 0.0 110.364 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 20.3 Cg_endo -74.55 151.6 42.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.595 ' HB3' HG21 ' A' ' 103' ' ' VAL . 18.4 Cg_endo -75.22 -32.04 5.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.381 1.727 . . . . 0.0 111.06 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 97' ' ' ILE . 24.9 m -74.48 123.24 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 O-C-N 124.537 1.148 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.919 ' O ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -128.46 167.97 16.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.288 0.993 . . . . 0.0 110.874 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.1 p 175.11 50.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.694 1.246 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.79 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.172 . . . . 0.0 110.256 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.358 1.055 0 O-C-N 124.587 1.835 . . . . 0.0 110.944 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 4' ' ' SER . 3.4 p -175.76 -50.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.388 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 1.9 t 82.54 142.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.336 1.022 . . . . 0.0 110.274 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.61 -44.59 62.92 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.888 1.367 . . . . 0.0 110.458 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -52.06 -52.75 49.01 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.51 1.131 . . . . 0.0 109.926 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -48.86 55.42 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.55 1.156 . . . . 0.0 110.509 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.3 -51.39 34.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.74 1.275 . . . . 0.0 109.045 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 12' ' ' VAL . 6.5 ttpt -54.3 -45.92 72.65 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.521 1.138 . . . . 0.0 109.155 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -21.8 64.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.955 1.41 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -37.05 13.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.655 1.222 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 9' ' ' LYS . 17.4 m -99.57 19.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.458 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.831 1.332 . . . . 0.0 109.793 -179.845 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -100.61 -19.45 16.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.867 1.354 . . . . 0.0 109.043 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -61.11 133.6 56.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 111.225 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.67 -37.38 73.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 25.4 m-85 -104.22 25.7 9.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -42.08 -66.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.777 1.298 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.6 -31.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -78.12 -50.5 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -60.42 -48.03 83.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.69 -44.67 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.99 -52.34 63.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.806 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -62.14 -37.31 84.69 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.363 1.039 . . . . 0.0 110.377 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 m -70.01 -37.34 75.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.58 -40.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.347 1.029 . . . . 0.0 109.181 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 3.0 t-20 -72.75 -48.78 35.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.375 1.047 . . . . 0.0 109.255 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 24' ' ' GLU . 24.3 t -47.21 -55.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.77 1.294 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.5 pt -65.43 -52.57 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -47.33 -42.82 22.12 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.755 1.285 . . . . 0.0 110.438 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -40.41 72.92 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.564 1.165 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' OH ' HD11 ' A' ' 132' ' ' ILE . 11.4 m-85 -129.07 109.13 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 111.25 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -83.0 58.27 4.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.81 -48.01 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.236 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.5 125.9 27.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 124.633 1.208 . . . . 0.0 109.262 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 144.46 29.93 Favored Pre-proline 0 N--CA 1.447 -0.594 0 O-C-N 124.529 1.143 . . . . 0.0 109.763 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.69 141.85 28.15 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 O-C-N 124.302 1.685 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 39' ' ' LEU . 45.2 t -130.7 168.12 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.728 1.267 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -140.63 120.94 13.95 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.316 1.01 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.72 115.47 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.943 1.402 . . . . 0.0 109.674 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.6 p -85.56 129.38 34.83 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 124.722 1.264 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -108.6 123.94 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.78 167.13 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.412 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -114.79 72.2 0.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.545 1.153 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 4.8 m120 53.93 25.48 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.48 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 6.6 t0 83.95 26.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.073 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.15 -17.29 16.34 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.422 1.076 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.5 p 177.77 178.67 0.32 Allowed 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -134.98 105.5 6.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.776 1.297 . . . . 0.0 109.992 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.734 ' HE ' HD21 ' A' ' 52' ' ' LEU . 5.0 ttp180 -99.78 144.39 28.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.072 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 13.4 mt-10 -95.79 118.35 32.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.306 1.004 . . . . 0.0 110.301 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.734 HD21 ' HE ' ' A' ' 50' ' ' ARG . 4.2 mm? -124.62 135.43 53.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.421 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -99.79 138.76 36.43 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 124.799 1.312 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -123.89 146.1 48.66 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mt -107.04 115.41 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.456 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.3 m -118.14 139.3 51.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -176.99 172.22 45.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 71' ' ' PRO . 3.1 p -123.93 133.85 53.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.165 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 38.8 pt -106.89 141.37 22.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.8 Cg_endo -74.78 98.56 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.374 1.723 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.67 126.44 28.11 Favored Pre-proline 0 C--N 1.32 -0.714 0 O-C-N 124.313 1.008 . . . . 0.0 109.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.74 147.75 35.58 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.437 1.757 . . . . 0.0 111.079 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -105.14 -55.33 2.34 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 124.769 1.293 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 32.65 0.18 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.415 1.072 . . . . 0.0 110.293 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 132.26 -22.61 4.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -107.59 158.08 17.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.388 0.699 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -99.21 132.12 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.359 1.037 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -115.34 169.53 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 110.924 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -116.65 93.33 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.645 1.215 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.702 HG21 ' HD2' ' A' ' 135' ' ' PHE . 9.4 mm -82.41 114.44 51.45 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.384 1.052 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.3 Cg_endo -74.94 128.5 11.59 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -127.29 146.88 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.1 t -125.01 143.78 50.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.564 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mt -130.9 136.95 49.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.352 1.032 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 51.0 m95 -111.31 139.44 46.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.4 mm? -121.08 166.87 13.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.34 176.51 8.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.473 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.7 OUTLIER -81.99 -32.21 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.815 1.322 . . . . 0.0 109.429 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 174.1 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.503 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -119.36 159.95 43.52 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 124.433 1.083 . . . . 0.0 111.038 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 19.6 Cg_endo -75.19 -52.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.885 0.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.421 ' C ' ' HD2' ' A' ' 84' ' ' PRO . 2.9 m-85 -80.11 115.64 19.79 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.496 1.122 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.5 m120 -52.83 -45.09 97.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -74.97 155.97 43.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.557 ' HB3' HD13 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -74.99 158.38 42.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.422 1.748 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.648 HG23 ' HE3' ' A' ' 108' ' ' LYS . 1.3 mt -96.21 125.01 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.488 ' HB3' HD11 ' A' ' 109' ' ' ILE . 94.3 m -66.28 148.72 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.494 ' N ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER -160.94 159.37 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.528 1.142 . . . . 0.0 111.057 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 107' ' ' GLY . 34.1 m -123.63 154.86 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 O-C-N 124.561 1.163 . . . . 0.0 109.386 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -134.72 64.08 61.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.34 1.025 . . . . 0.0 109.383 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.45 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.6 Cg_endo -74.98 -176.2 2.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.596 1.84 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.1 p -105.9 -175.2 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.801 1.313 . . . . 0.0 110.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -22.25 22.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.41 -7.48 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 142' ' ' PHE . 58.6 ttm -92.52 -32.95 14.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 124.778 1.299 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 97' ' ' ILE . 73.1 m 66.86 172.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.237 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -138.21 105.04 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.709 1.256 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 142' ' ' PHE . 2.2 mmtt -72.72 86.49 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.149 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 104' ' ' ASP . 6.0 p -44.11 138.95 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.447 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.91 -150.21 5.41 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 125.013 1.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -70.33 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.669 ' CE1' HG23 ' A' ' 103' ' ' VAL . 9.9 p80 -76.75 -51.28 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.669 HG23 ' CE1' ' A' ' 102' ' ' HIS . 87.7 t -55.08 90.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.345 1.028 . . . . 0.0 109.207 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' HIS . 2.7 t0 -65.37 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.468 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.32 -15.88 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.217 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -110.67 5.55 21.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.359 1.037 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.962 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 71.42 41.1 59.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.632 1.208 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.648 ' HE3' HG23 ' A' ' 86' ' ' ILE . 1.4 tttp -104.77 57.95 0.7 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.425 0.721 . . . . 0.0 109.158 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -39.61 106.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 O-C-N 124.297 0.998 . . . . 0.0 109.074 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 41.9 p90 -113.55 59.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 111' ' ' LEU . 3.9 mp -47.65 153.41 1.07 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.64 21.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -46.91 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.19 -31.96 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.69 -37.89 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.3 29.08 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.703 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 7.3 t90 -80.77 117.52 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -125.43 70.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.224 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.528 ' HA ' ' C ' ' A' ' 120' ' ' PRO . 25.1 p-80 -35.07 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.91 2.77 14.38 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.042 -0.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.0 mp0 -30.06 -69.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.703 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -93.11 -177.14 4.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -172.63 164.17 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.75 HD23 ' HG2' ' A' ' 24' ' ' GLU . 1.7 mm? -55.34 -50.7 68.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 125' ' ' LEU . 7.4 mp -55.18 -54.54 42.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.36 -37.69 88.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -69.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 0.811 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.15 -22.64 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -61.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -44.93 -49.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.503 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 61.8 mtt -51.04 -57.45 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.706 HD11 ' OH ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -45.79 -28.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.8 t -90.23 -62.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 37.6 t -45.61 -40.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.702 ' HD2' HG21 ' A' ' 70' ' ' ILE . 6.2 m-85 -84.58 -33.31 23.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.519 1.137 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.62 -21.05 66.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.72 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.86 157.16 5.11 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.702 1.252 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.83 113.98 3.92 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.508 1.794 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.73 35.69 0.41 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.553 1.817 . . . . 0.0 111.258 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -132.85 -56.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 0.2 OUTLIER 55.34 162.65 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.223 0.952 . . . . 0.0 110.854 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.492 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.1 OUTLIER -178.11 36.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.104 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 117.09 67.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.632 1.207 . . . . 0.0 110.401 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.353 0.787 0 O-C-N 124.501 1.79 . . . . 0.0 110.934 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' HG23 ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 4' ' ' SER . 26.4 t -150.65 -46.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER 157.38 -169.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.823 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -22.69 0.46 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.261 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.14 39.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.2 tp60 -75.41 -52.26 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.859 1.349 . . . . 0.0 110.219 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.682 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -43.15 -56.55 3.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.207 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -60.03 -35.39 75.0 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.574 1.171 . . . . 0.0 109.177 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -65.2 -44.73 87.41 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.457 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -64.47 -44.31 91.44 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 124.258 0.974 . . . . 0.0 111.167 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 8' ' ' LEU . 27.4 m -83.32 1.02 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.626 1.204 . . . . 0.0 109.73 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -62.74 -21.58 65.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -101.08 -28.11 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 124.324 1.015 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -53.34 117.41 3.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -68.38 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.517 1.135 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -81.79 49.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.78 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.89 -60.26 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.133 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' ARG . 31.4 t70 -38.85 -39.02 0.48 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.22 14.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.597 HG23 ' CD2' ' A' ' 76' ' ' LEU . 41.5 m -55.46 -55.03 36.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.541 ' CG2' HG21 ' A' ' 12' ' ' VAL . 7.0 t -53.0 -42.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 124.641 1.213 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -67.51 -47.92 68.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.382 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' OE1' HD13 ' A' ' 124' ' ' LEU . 11.7 mt-10 -60.48 -46.09 91.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -61.43 -32.2 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -71.15 -41.98 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 124.648 1.217 . . . . 0.0 109.408 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.637 ' ND2' HD21 ' A' ' 125' ' ' LEU . 16.1 t-20 -68.17 -51.94 40.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.657 HG21 HD23 ' A' ' 124' ' ' LEU . 12.0 t -44.54 -59.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 124.624 1.202 . . . . 0.0 109.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -62.86 -56.91 14.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 14.0 m -43.11 -45.64 5.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.494 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -46.09 71.95 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.756 1.285 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.96 115.73 16.9 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.1 54.62 3.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.908 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.14 -45.81 1.12 Allowed 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.564 1.165 . . . . 0.0 109.193 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.15 110.08 1.73 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.62 116.92 66.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.143 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.85 134.11 17.66 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 39' ' ' LEU . 22.6 t -132.36 169.12 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -137.5 106.49 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.95 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -121.75 135.79 54.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.832 1.332 . . . . 0.0 109.308 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -96.67 137.84 35.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.77 1.294 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.15 147.54 50.82 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.245 0.965 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 48' ' ' SER . 3.9 m -91.04 144.43 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.704 1.253 . . . . 0.0 109.074 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.7 m-85 -95.86 144.22 26.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.65 89.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.791 1.307 . . . . 0.0 109.313 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER 172.21 -49.58 0.01 OUTLIER 'General case' 0 C--O 1.242 0.664 0 O-C-N 124.25 0.969 . . . . 0.0 109.047 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.29 46.71 0.1 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 39.4 p -139.12 172.62 12.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.227 0.604 . . . . 0.0 110.207 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.5 p -132.84 153.45 51.29 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.412 1.07 . . . . 0.0 110.265 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -152.22 159.92 43.47 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.658 1.224 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.944 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -113.25 122.87 48.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.297 0.998 . . . . 0.0 110.254 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.944 HD22 ' C ' ' A' ' 51' ' ' GLU . 2.6 mm? -131.29 148.64 52.7 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.837 1.335 . . . . 0.0 109.337 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 ttp -92.94 137.16 32.61 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.722 1.264 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 2.2 p-10 -122.87 118.48 28.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 37' ' ' PRO . 17.8 mt -88.88 103.19 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 m -109.74 111.18 22.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.505 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.62 -175.33 21.8 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 71' ' ' PRO . 7.5 p -137.4 121.94 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.665 0.862 . . . . 0.0 110.277 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 60' ' ' PRO . 49.6 mt -88.82 142.37 30.52 Favored Pre-proline 0 N--CA 1.449 -0.479 0 O-C-N 124.637 1.211 . . . . 0.0 109.519 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.7 Cg_endo -74.44 118.44 5.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.508 1.794 . . . . 0.0 111.293 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 68' ' ' TYR . 25.5 t -144.86 101.92 4.54 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -75.05 147.7 34.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -95.39 -38.91 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.592 1.183 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.18 -76.65 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.0 4.8 9.04 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.645 1.215 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -127.16 146.41 50.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 0.724 . . . . 0.0 109.422 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.0 m -89.13 129.89 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.693 1.246 . . . . 0.0 110.282 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.458 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.3 t80 -100.49 162.75 12.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.667 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -115.04 86.33 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.712 HG21 ' HD2' ' A' ' 135' ' ' PHE . 18.1 mm -73.11 114.05 27.52 Favored Pre-proline 0 C--N 1.321 -0.634 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.0 Cg_endo -75.11 136.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.42 1.747 . . . . 0.0 110.861 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.07 148.07 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.112 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 42.2 t -128.14 148.61 50.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 108.453 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -134.79 127.15 30.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.166 0.916 . . . . 0.0 109.392 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TRP . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 67.0 m95 -100.19 144.66 28.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 52' ' ' LEU . 1.4 mp -119.77 163.32 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.981 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -137.9 176.95 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.083 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -94.84 -28.23 15.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.449 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.524 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.4 m-85 -97.57 168.14 10.63 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.88 -35.34 2.95 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.107 -0.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' TYR . . . . . 0.422 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 38.7 m-85 -97.22 -65.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASN . . . . . 0.981 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.4 m-20 162.19 -50.89 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.588 1.18 . . . . 0.0 109.1 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.07 151.35 39.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.98 170.78 19.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -104.17 156.66 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' CYS . . . . . 0.576 ' HB3' ' HE1' ' A' ' 131' ' ' MET . 60.9 m -128.76 134.77 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 2.5 p90 -164.28 147.27 9.22 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 124.637 1.211 . . . . 0.0 111.047 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 97' ' ' ILE . 7.6 p -73.55 159.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.29 0.994 . . . . 0.0 109.238 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.95 97.5 50.76 Favored Pre-proline 0 N--CA 1.447 -0.603 0 O-C-N 124.308 1.005 . . . . 0.0 109.249 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.57 149.27 38.6 Favored 'Trans proline' 0 C--N 1.357 0.978 0 O-C-N 124.798 1.946 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.3 p -115.96 -142.25 0.38 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.318 1.011 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 m -100.32 -45.23 5.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -38.15 58.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.605 1.19 . . . . 0.0 109.741 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -176.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 124.619 1.2 . . . . 0.0 110.706 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.976 HG21 ' HB2' ' A' ' 143' ' ' SER . 10.9 t -147.42 -154.4 0.55 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 124.603 1.189 . . . . 0.0 110.161 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -165.53 117.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.716 1.26 . . . . 0.0 109.208 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 89.4 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.4 p -44.42 135.62 4.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.433 1.083 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.91 -137.81 2.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.639 1.212 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -71.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.552 0.795 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.68 ' CE1' HG23 ' A' ' 103' ' ' VAL . 18.9 p-80 -74.46 -20.12 60.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.68 HG23 ' CE1' ' A' ' 102' ' ' HIS . 40.7 t -98.32 70.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 124.658 1.224 . . . . 0.0 109.451 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -53.1 -177.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.652 1.22 . . . . 0.0 109.324 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.92 62.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.723 1.264 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -104.59 17.19 24.6 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLY . . . . . 0.482 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 56.46 19.57 26.81 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.65 125.7 29.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 109' ' ' ILE . 27.1 mm -60.98 102.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 124.636 1.21 . . . . 0.0 109.342 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 34.19 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.6 mt -46.36 151.53 0.97 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -42.76 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -61.09 -43.12 99.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -51.38 -45.03 62.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.55 ' N ' HD23 ' A' ' 114' ' ' LEU . 48.7 t60 -58.09 -54.88 42.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.99 33.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' TRP . . . . . 0.795 ' HE1' ' N ' ' A' ' 122' ' ' SER . 6.0 t90 -131.1 119.44 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.046 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 164.3 25.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' HIS . . . . . 0.726 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -61.46 171.13 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.544 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 120' ' ' PRO . . . . . 0.726 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.06 -16.56 21.15 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.4 mp0 -37.55 -52.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.795 ' N ' ' HE1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER -59.74 139.19 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 122' ' ' SER . 51.1 m-20 -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.657 HD23 HG21 ' A' ' 28' ' ' VAL . 6.0 mp -55.87 -62.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.637 HD21 ' ND2' ' A' ' 27' ' ' ASN . 3.4 mp -50.29 -55.59 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.14 -42.73 82.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 129' ' ' GLN . 1.7 mt -62.23 -66.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' LEU . 44.6 mm -39.73 -29.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 127' ' ' LEU . 8.5 tt0 -61.49 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -43.52 -50.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 131' ' ' MET . . . . . 0.576 ' HE1' ' HB3' ' A' ' 87' ' ' CYS . 18.9 mtt -58.66 -53.07 62.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.7 mt -45.25 -31.2 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -92.36 -63.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 t -41.86 -44.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' PHE . . . . . 0.712 ' HD2' HG21 ' A' ' 70' ' ' ILE . 9.6 m-85 -86.81 -31.53 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.5 -29.11 68.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.388 1.055 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.56 -35.05 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.82 157.55 1.17 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.38 119.47 5.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.415 1.745 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' PRO . . . . . 0.542 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 18.9 Cg_endo -74.61 0.8 8.24 Favored 'Trans proline' 0 C--N 1.364 1.349 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' VAL . . . . . 0.505 HG22 HG21 ' A' ' 89' ' ' VAL . 93.7 t -87.94 -101.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 96' ' ' THR . 2.4 t80 45.36 -172.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.276 0.985 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.976 ' HB2' HG21 ' A' ' 96' ' ' THR . 0.1 OUTLIER -136.84 38.14 2.6 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.718 1.262 . . . . 0.0 109.965 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.22 147.17 8.7 Favored Pre-proline 0 C--N 1.327 -0.372 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.623 1.854 . . . . 0.0 111.148 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 120.802 0.334 . . . . 0.0 110.291 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 32.1 tp -62.09 -48.38 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.767 1.292 . . . . 0.0 109.294 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.638 ' HA ' HG22 ' A' ' 12' ' ' VAL . 63.1 mttt -65.58 -42.34 91.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -55.57 -26.33 42.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -32.86 27.28 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 124.55 1.156 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.831 HG23 ' HG3' ' A' ' 18' ' ' ARG . 15.5 m -105.28 20.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.261 0.976 . . . . 0.0 108.895 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 t -74.34 -19.32 60.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.914 1.384 . . . . 0.0 110.31 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -34.48 33.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.298 0.999 . . . . 0.0 109.171 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.83 145.98 23.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -46.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.085 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 79' ' ' THR . 22.9 m-30 -90.94 27.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.831 ' HG3' HG23 ' A' ' 12' ' ' VAL . 3.8 tmm_? -44.05 -59.49 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.434 1.084 . . . . 0.0 110.093 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -47.04 -36.65 8.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.71 -38.27 54.65 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.823 1.327 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -64.82 -53.04 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.2 t -53.12 -45.46 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -55.49 -53.86 51.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.547 1.154 . . . . 0.0 110.442 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.75 -45.41 82.04 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.695 1.247 . . . . 0.0 110.264 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.525 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -41.96 -43.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.821 1.326 . . . . 0.0 109.294 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.577 ' OD1' HD11 ' A' ' 125' ' ' LEU . 6.3 t-20 -70.15 -54.71 11.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.197 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.76 -56.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.303 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.2 pt -63.5 -56.47 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 0.0 109.147 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.7 m -44.44 -45.13 8.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.047 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.423 HD13 HD21 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -69.59 -51.07 38.59 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.231 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -125.95 112.96 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -82.4 54.77 2.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.5 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.53 -52.05 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 29' ' ' ILE . 4.6 mm? -65.15 115.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.71 142.42 24.57 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.34 1.025 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.47 137.16 22.6 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 O-C-N 124.212 1.638 . . . . 0.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 39' ' ' LEU . 15.8 t -134.94 164.71 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.793 1.308 . . . . 0.0 109.525 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.4 tm? -138.15 121.75 17.38 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.326 1.016 . . . . 0.0 109.19 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -137.92 131.05 30.33 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.932 1.395 . . . . 0.0 109.195 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -101.74 157.98 16.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.4 1.062 . . . . 0.0 109.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -154.0 145.75 23.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.625 1.203 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.696 1.248 . . . . 0.0 109.47 179.789 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 t . . . . . 0 N--CA 1.455 -0.206 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -136.59 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 124.641 1.213 . . . . 0.0 110.177 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.884 ' C ' HD22 ' A' ' 52' ' ' LEU . 47.6 mt-10 -112.61 123.12 49.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 110.069 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.884 HD22 ' C ' ' A' ' 51' ' ' GLU . 2.7 mm? -128.31 135.86 50.19 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.382 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 ptm -96.46 142.59 28.38 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -124.39 153.19 42.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.405 1.066 . . . . 0.0 109.257 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.29 107.99 17.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 m -112.22 129.76 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.42 ' N ' HD13 ' A' ' 35' ' ' LEU . . . -166.0 -172.69 33.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 71' ' ' PRO . 21.9 p -136.66 138.0 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 0.718 . . . . 0.0 110.683 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.559 HG23 ' HD2' ' A' ' 60' ' ' PRO . 9.0 mm -116.01 138.32 24.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.372 1.045 . . . . 0.0 109.387 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.34 116.17 4.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.538 1.809 . . . . 0.0 110.759 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.618 ' HB ' HD12 ' A' ' 70' ' ' ILE . 2.9 t -116.28 95.79 46.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.534 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.76 147.28 34.83 Favored 'Trans proline' 0 C--N 1.356 0.941 0 O-C-N 124.32 1.695 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CZ ' ' CD ' ' A' ' 64' ' ' ARG . 65.7 t80 -153.22 127.1 8.91 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.447 1.092 . . . . 0.0 111.206 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.556 ' CD ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 60.93 19.95 10.28 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.444 1.09 . . . . 0.0 110.21 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 11.12 60.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.399 1.062 . . . . 0.0 110.994 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.639 HD22 ' N ' ' A' ' 66' ' ' ASN . 1.2 m-80 -101.78 -177.39 3.41 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.552 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -133.42 124.57 27.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -118.39 157.01 27.97 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.25 0.969 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -120.54 93.74 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.618 HD12 ' HB ' ' A' ' 61' ' ' VAL . 17.5 mt -100.58 110.74 61.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HB3' HG22 ' A' ' 58' ' ' THR . 18.4 Cg_endo -74.98 162.65 36.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 124.624 1.855 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.41 HG23 ' C ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -152.72 138.86 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 O-C-N 124.319 1.012 . . . . 0.0 109.437 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 29.0 t -118.38 144.53 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 108.44 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.55 156.8 41.65 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.838 1.336 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.74 ' C ' HD22 ' A' ' 76' ' ' LEU . 52.2 m95 -125.23 141.9 51.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 108.009 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.74 HD22 ' C ' ' A' ' 75' ' ' TRP . 1.7 mm? -120.0 168.65 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -144.45 168.16 20.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 124.813 1.321 . . . . 0.0 109.273 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.53 -36.69 38.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.455 1.097 . . . . 0.0 109.418 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.484 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 5.4 t -174.4 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.455 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.597 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -122.77 165.35 22.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.007 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.597 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 19.4 Cg_endo -74.96 -48.58 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.132 -0.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.42 108.75 18.63 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.603 1.189 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.766 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.2 t30 -42.06 -51.0 10.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.173 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 148.83 35.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.564 1.823 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.623 ' HB3' HD13 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.99 166.61 28.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.13 141.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 p -113.92 137.67 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 2.5 p90 -162.86 144.21 9.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 124.437 1.086 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.607 HG13 HD11 ' A' ' 97' ' ' ILE . 7.2 p -83.46 140.97 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.356 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 118.38 58.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.666 1.229 . . . . 0.0 109.201 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.75 154.33 43.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.35 1.711 . . . . 0.0 111.04 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.6 p -101.28 -164.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.225 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.16 -38.44 7.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -50.82 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -176.25 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.265 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 141' ' ' VAL . 0.2 OUTLIER -136.73 175.14 9.89 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.656 1.223 . . . . 0.0 110.297 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.607 HD11 HG13 ' A' ' 89' ' ' VAL . 4.2 tt -125.4 103.95 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 142' ' ' PHE . 0.4 OUTLIER -94.89 37.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.458 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.423 ' HA ' HG12 ' A' ' 103' ' ' VAL . 1.8 p 43.24 -167.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.77 179.59 42.08 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 124.834 1.334 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -41.66 13.32 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.703 0.884 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.979 ' NE2' HG11 ' A' ' 134' ' ' VAL . 3.3 p80 -115.51 -35.72 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.655 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 99' ' ' THR . 71.2 t -58.13 97.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 124.686 1.241 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.57 -174.93 1.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.45 -21.05 65.57 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.923 1.389 . . . . 0.0 109.054 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -94.51 9.51 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 68.65 9.9 59.73 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -77.15 147.5 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.68 0.871 . . . . 0.0 109.162 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.541 ' CD1' ' CE ' ' A' ' 131' ' ' MET . 1.3 mp -87.03 100.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.295 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.64 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HG ' ' CG ' ' A' ' 102' ' ' HIS . 19.2 mt -64.84 148.53 97.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -74.93 -24.26 13.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -78.46 -22.9 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.19 -58.2 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -50.72 -40.16 53.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.13 37.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.6 t90 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -123.78 75.63 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -40.89 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.03 1.78 15.58 Favored 'Cis proline' 0 C--N 1.359 1.091 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.977 -0.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 120' ' ' PRO . 61.1 mm-40 -34.89 -63.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.64 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.09 170.9 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.28 174.86 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -70.33 -44.82 67.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.577 HD11 ' OD1' ' A' ' 27' ' ' ASN . 7.4 mp -48.42 -52.31 22.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.73 -46.57 74.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.24 -34.6 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.1 mp -84.9 -33.55 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.598 ' O ' HG22 ' A' ' 132' ' ' ILE . 2.1 tt0 -61.18 -57.49 12.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 131' ' ' MET . 2.6 p -43.88 -50.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.541 ' CE ' ' CD1' ' A' ' 109' ' ' ILE . 18.6 mtt -54.23 -54.0 45.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 129' ' ' GLN . 0.9 OUTLIER -45.39 -29.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -86.95 -61.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.979 HG11 ' NE2' ' A' ' 102' ' ' HIS . 25.8 t -47.41 -49.84 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 70' ' ' ILE . 4.6 m-85 -71.58 -34.41 69.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.456 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -69.79 -5.76 53.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.96 -40.53 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.387 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -145.26 118.84 5.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 110.322 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.28 113.74 3.84 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.772 1.933 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 19.0 Cg_endo -75.15 -9.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 96' ' ' THR . 13.2 t -77.19 -67.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.441 -0.881 0 N-CA-C 110.663 -0.125 . . . . 0.0 110.663 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -43.24 -40.11 3.28 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 125.091 1.494 . . . . 0.0 109.135 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' SER . 12.0 tttm -62.5 -48.6 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.428 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLN . 32.0 tttt -62.96 -22.65 66.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.29 0.994 . . . . 0.0 109.572 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mmt -81.72 -32.29 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.981 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 m -108.61 14.88 8.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.202 0.939 . . . . 0.0 109.481 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.7 m -76.55 -26.63 55.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.72 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -26.07 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.105 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -55.26 122.25 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -56.01 25.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.079 . . . . 0.0 108.886 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 28.5 m-85 -91.6 38.62 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.772 1.295 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -60.95 -31.05 70.62 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.606 1.191 . . . . 0.0 110.331 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 34.0 m-20 -67.0 -42.93 84.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.702 1.251 . . . . 0.0 109.118 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.27 -33.56 69.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -75.25 -53.53 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.49 -44.08 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 O-C-N 124.548 1.155 . . . . 0.0 109.085 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -49.05 73.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.07 -37.54 85.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.261 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 HD13 ' A' ' 29' ' ' ILE . 4.0 m -68.21 -59.45 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.466 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.558 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.18 -40.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.415 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 38.9 t-20 -74.81 -56.19 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -44.07 -48.91 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.301 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.558 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.9 pt -70.89 -53.93 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -47.82 -42.58 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.039 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -46.95 28.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.629 1.206 . . . . 0.0 109.24 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -114.39 116.21 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.49 -30.59 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.861 1.351 . . . . 0.0 108.77 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -34.36 69.12 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 32' ' ' TYR . 2.6 mm? -71.89 128.96 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 109.423 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.83 118.5 25.79 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 136.17 20.17 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.607 1.846 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 39' ' ' LEU . 15.3 t -134.4 165.73 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.4 tm? -125.65 109.88 13.14 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.0 131.24 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.697 1.248 . . . . 0.0 109.0 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -85.18 117.1 23.92 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 124.635 1.209 . . . . 0.0 110.082 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.45 123.93 28.48 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.394 1.059 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.327 -0.374 0 O-C-N 124.362 1.039 . . . . 0.0 109.315 -179.754 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 p . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -112.11 128.11 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.169 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.575 ' O ' HD22 ' A' ' 52' ' ' LEU . 2.3 mp0 -72.61 110.62 7.11 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.291 0.995 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 51' ' ' GLU . 4.6 mm? -126.91 146.67 50.21 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.534 1.146 . . . . 0.0 109.535 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.23 139.24 32.49 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.949 1.406 . . . . 0.0 111.0 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -124.6 139.65 53.67 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 mt -106.76 112.26 25.15 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -120.28 128.26 53.14 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 125.029 1.455 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.89 165.29 38.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 71' ' ' PRO . 20.7 p -119.34 141.96 48.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 0.719 . . . . 0.0 110.221 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 2.2 pt -115.43 148.35 40.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 O-C-N 124.93 1.394 . . . . 0.0 108.825 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.21 127.41 10.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 61' ' ' VAL . 3.3 t -131.77 98.39 17.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 124.262 0.976 . . . . 0.0 109.554 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 17.8 Cg_endo -75.24 128.42 11.29 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -100.28 -61.71 1.33 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.349 1.03 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.95 60.76 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.332 1.02 . . . . 0.0 110.286 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.79 -19.05 53.88 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.742 1.276 . . . . 0.0 111.023 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -104.78 156.26 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.1 m -115.43 130.23 56.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.781 1.301 . . . . 0.0 110.358 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.76 155.8 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -115.78 86.72 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.545 1.153 . . . . 0.0 109.219 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.11 114.08 29.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.3 Cg_endo -74.84 128.82 11.93 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.507 1.793 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.15 138.93 48.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 124.914 1.384 . . . . 0.0 109.064 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 4.4 t -122.74 140.93 52.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.366 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.14 153.86 51.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.801 1.313 . . . . 0.0 109.529 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 87.9 m95 -125.73 126.43 44.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.9 mm? -90.22 170.56 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.005 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -150.6 166.67 29.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 124.58 1.175 . . . . 0.0 109.57 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.3 m-20 -94.99 -35.36 12.0 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.602 1.189 . . . . 0.0 109.112 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -166.63 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.496 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -83.62 162.27 53.67 Favored Pre-proline 0 N--CA 1.452 -0.37 0 O-C-N 124.585 1.178 . . . . 0.0 111.371 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 -41.68 0.96 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.11 -2.454 . . . . 0.0 110.893 -0.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -103.22 -51.73 3.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 124.417 1.073 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.005 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER 164.91 -51.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.0 144.48 30.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.828 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.5 Cg_endo -74.99 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.5 141.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.6 m -122.26 117.12 25.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 2.6 p90 -153.21 154.27 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -82.43 167.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -144.82 93.02 5.71 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 124.846 1.341 . . . . 0.0 109.244 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.0 Cg_endo -75.23 158.02 41.53 Favored 'Trans proline' 0 C--N 1.363 1.337 0 O-C-N 124.003 1.528 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.8 p -94.85 -164.39 1.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.871 1.357 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -49.0 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.778 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -64.26 -54.75 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 110.743 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 142' ' ' PHE . 10.1 t -158.75 -162.46 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.479 HD12 ' HG3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -150.61 133.49 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.521 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 41.17 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 105' ' ' ALA . 66.5 p 42.74 -165.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.353 1.033 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.56 177.32 38.38 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 124.434 1.084 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -43.66 94.72 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 125.203 1.178 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.453 ' CB ' ' HG ' ' A' ' 111' ' ' LEU . 7.4 m-70 -126.72 33.21 5.0 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.164 . . . . 0.0 109.672 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 t -115.68 -5.7 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.191 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.04 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.433 ' HA ' HG22 ' A' ' 99' ' ' THR . . . -104.28 -20.63 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.624 1.203 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -104.04 36.23 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.558 1.161 . . . . 0.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 45.55 43.47 10.91 Favored Glycine 0 CA--C 1.533 1.16 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -109.02 147.64 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.679 0.87 . . . . 0.0 109.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.525 HG23 HD12 ' A' ' 111' ' ' LEU . 1.4 mp -81.26 101.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 33.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.525 HD12 HG23 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -61.08 149.83 80.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.446 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.3 Cg_endo -74.95 -22.66 14.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -77.97 -26.41 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.45 HD22 HG22 ' A' ' 109' ' ' ILE . 18.2 tp -80.72 -62.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -46.19 -42.14 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.85 40.45 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.645 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.8 t90 -81.29 111.57 17.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -119.08 71.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.51 ' HA ' ' C ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -40.54 159.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.94 1.5 15.54 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 120' ' ' PRO . 49.2 mm-40 -35.48 -64.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.645 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.1 168.63 10.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.908 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 127' ' ' LEU . 1.6 m-20 -167.32 166.11 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.421 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -60.08 -45.17 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 125' ' ' LEU . 3.5 mm? -56.43 -62.37 1.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.51 -21.7 28.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -74.1 -71.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.3 mp -39.69 -30.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.438 ' N ' ' C ' ' A' ' 127' ' ' LEU . 4.6 tm0? -57.93 -56.62 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -52.34 -44.18 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.476 ' CE ' HG12 ' A' ' 109' ' ' ILE . 30.4 mtt -61.33 -53.11 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 32' ' ' TYR . 1.6 mt -45.08 -32.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -91.08 -62.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 t -41.93 -45.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 61' ' ' VAL . 15.2 m-85 -83.71 -32.25 25.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.54 -15.03 56.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.316 1.01 . . . . 0.0 110.957 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.62 -50.5 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.2 150.01 10.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 124.658 1.224 . . . . 0.0 110.28 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.57 7.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 -12.8 21.2 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.49 1.784 . . . . 0.0 110.721 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 21.4 m -101.42 128.41 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.567 1.167 . . . . 0.0 109.202 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 96' ' ' THR . 36.6 t80 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.849 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.8 tp60 . . . . . 0 CA--C 1.536 0.418 0 CA-C-O 120.725 0.297 . . . . 0.0 110.302 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 37' ' ' PRO . 1.8 tp -45.74 -38.67 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.566 1.166 . . . . 0.0 109.161 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -65.98 -54.34 27.45 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.74 1.275 . . . . 0.0 109.188 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.03 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.769 1.293 . . . . 0.0 109.103 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.595 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.7 mmt -69.14 -48.58 62.01 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 0.0 111.131 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 m -86.85 8.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.872 1.357 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 t -75.51 -3.73 35.73 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.543 1.152 . . . . 0.0 109.683 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -99.44 -32.59 11.07 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.986 1.429 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 1.9 m-85 -45.7 128.07 8.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.166 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -44.53 69.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.315 1.009 . . . . 0.0 109.057 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -87.92 -64.41 1.15 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.082 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 17' ' ' TYR . 2.3 ttt180 66.65 -66.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.663 1.227 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' TYR . 11.4 t70 -45.51 -44.69 12.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.451 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . 1.9 tt -67.94 -53.2 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.52 HG22 ' CE ' ' A' ' 53' ' ' MET . 17.0 m -53.58 -55.35 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -57.89 -42.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 O-C-N 124.669 1.231 . . . . 0.0 108.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -54.26 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.911 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.0 tt0 -66.46 -28.85 68.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.314 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -74.31 -36.11 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -69.5 -39.47 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.42 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.706 HD21 HD21 ' A' ' 125' ' ' LEU . 6.6 t-20 -68.37 -58.2 4.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.62 1.2 . . . . 0.0 109.208 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 24' ' ' GLU . 72.9 t -39.81 -58.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 26' ' ' VAL . 3.0 pt -62.97 -56.11 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.208 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -42.79 -45.21 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.295 0.997 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.728 ' HG ' HD23 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -77.97 -36.43 49.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ILE . 95.2 m-85 -134.74 84.69 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -56.7 -38.78 72.76 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -40.7 -38.12 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.56 1.162 . . . . 0.0 108.933 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 72' ' ' ILE . 8.5 mp -75.58 128.89 36.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 134.63 22.41 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 124.529 1.143 . . . . 0.0 109.678 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HB2' HD21 ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.97 138.76 23.54 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.03 157.02 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 109.436 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD12 ' CE ' ' A' ' 11' ' ' MET . 3.1 tm? -117.3 97.95 6.17 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.603 1.19 . . . . 0.0 109.122 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -104.3 124.98 50.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.301 1.0 . . . . 0.0 109.405 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 p -106.72 138.83 42.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.022 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -150.32 177.36 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.085 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 179.775 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.051 -0.352 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -148.97 158.95 44.57 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.011 1.444 . . . . 0.0 110.665 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.552 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.8 mp0 -108.79 115.48 30.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.8 mm? -119.61 146.53 45.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.546 ' O ' HD23 ' A' ' 76' ' ' LEU . 27.7 ttp -95.51 109.68 21.86 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.55 1.157 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -96.49 138.84 33.47 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 124.432 1.083 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 37' ' ' PRO . 8.2 mt -104.48 134.34 47.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.353 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -136.32 123.92 22.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.615 1.197 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 177.78 39.04 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 p -127.81 153.33 46.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 0.69 . . . . 0.0 110.15 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.719 HG23 ' HD2' ' A' ' 60' ' ' PRO . 18.0 mt -121.69 142.1 35.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.6 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 59' ' ' ILE . 19.2 Cg_endo -74.64 102.25 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.429 1.752 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.551 HG13 ' HA2' ' A' ' 136' ' ' GLY . 49.7 t -117.24 107.68 45.0 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 124.355 1.034 . . . . 0.0 109.421 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.363 1.301 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -118.89 -63.4 1.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -149.1 64.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.288 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.93 -13.39 67.21 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.388 1.055 . . . . 0.0 110.987 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 7.3 m-20 -107.71 169.07 8.82 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.6 0.824 . . . . 0.0 109.158 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -125.84 119.19 27.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.81 1.319 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.78 164.75 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -119.57 86.94 2.65 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.357 1.035 . . . . 0.0 109.416 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 1.024 HG21 ' CD2' ' A' ' 135' ' ' PHE . 26.7 mm -69.6 113.61 18.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.28 128.06 10.97 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.415 1.745 . . . . 0.0 111.221 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.574 HD11 HD21 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -124.79 150.15 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.525 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -129.6 146.82 51.37 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.122 . . . . 0.0 108.465 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -136.03 157.5 46.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.382 1.051 . . . . 0.0 109.398 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -131.79 136.78 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 107.979 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 53' ' ' MET . 4.6 mm? -102.8 175.38 5.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.924 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -149.17 171.6 16.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 83.8 m-20 -92.28 -36.65 13.1 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 t -166.36 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.547 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -91.34 168.54 13.27 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.7 Cg_endo -74.96 -35.6 2.87 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.05 0.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 13.1 m-85 -103.65 -57.05 2.1 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.384 1.052 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.924 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.6 m-20 160.55 -49.91 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 154.05 42.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.467 ' HB2' HD23 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -75.04 168.37 24.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.513 HG21 ' HE3' ' A' ' 108' ' ' LYS . 3.7 mp -104.47 139.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.9 m -87.84 138.51 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -145.03 177.92 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.82 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 107' ' ' GLY . 6.2 p -135.3 150.49 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.159 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -121.55 91.58 48.46 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.703 ' HG3' HD13 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.76 160.15 41.21 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.754 1.923 . . . . 0.0 110.966 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 p -105.83 -176.5 3.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -76.91 -53.61 7.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -41.93 31.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.61 174.08 6.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.456 1.097 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.0 p -129.22 -171.36 2.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.703 HD13 ' HG3' ' A' ' 91' ' ' PRO . 0.7 OUTLIER -134.54 100.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.88 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.478 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 p -38.46 142.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.302 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.655 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -133.54 -142.73 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -74.56 -42.7 58.32 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.473 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.1 p80 -111.45 -50.65 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.655 HG23 ' N ' ' A' ' 100' ' ' GLY . 1.5 m -52.21 97.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 124.739 1.274 . . . . 0.0 109.355 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.39 -175.38 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.375 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -14.6 61.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -112.26 32.23 5.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.724 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 44.34 39.55 5.63 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.612 1.195 . . . . 0.0 110.958 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -98.6 141.53 31.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.491 0.759 . . . . 0.0 109.07 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 109' ' ' ILE . 2.8 mp -84.69 101.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.328 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.31 37.14 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.49 HD12 ' CG2' ' A' ' 109' ' ' ILE . 12.5 mt -53.02 140.47 41.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.06 -20.58 16.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -76.66 -53.32 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -42.97 -41.95 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -65.18 -52.81 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.23 33.98 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 17.3 t90 -129.22 136.99 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.597 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -176.41 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.3 m-70 168.83 163.21 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -38.54 1.76 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.027 -0.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.463 ' O ' ' CD ' ' A' ' 121' ' ' GLN . 1.6 pp0? -111.63 57.33 0.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 118' ' ' LYS . 7.8 p -69.68 121.15 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.064 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.6 -179.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 28' ' ' VAL . 14.1 mt -55.24 -48.38 74.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.728 HD23 ' HG ' ' A' ' 31' ' ' LEU . 4.7 mp -40.31 -65.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . -56.17 -39.17 80.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -54.23 -71.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 132' ' ' ILE . 1.6 mp -43.72 -27.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -58.63 -61.07 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -42.98 -47.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 48.8 mtt -57.45 -50.43 73.06 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 128' ' ' ILE . 0.6 OUTLIER -45.3 -34.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.54 -59.64 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 130' ' ' VAL . 55.3 t -42.44 -48.69 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 1.024 ' CD2' HG21 ' A' ' 70' ' ' ILE . 16.4 m-85 -81.28 -32.77 33.05 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.11 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . 0.551 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -56.33 -26.82 51.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.336 1.022 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.7 OUTLIER -82.36 -50.5 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.467 0.745 . . . . 0.0 109.268 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 12.1 mt-10 -161.6 152.48 15.11 Favored Pre-proline 0 N--CA 1.446 -0.643 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.21 121.28 6.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.298 1.683 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 17.8 Cg_endo -74.67 -24.73 13.27 Favored 'Trans proline' 0 C--N 1.364 1.375 0 O-C-N 124.531 1.806 . . . . 0.0 110.905 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.0 m -50.98 -49.34 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.632 1.207 . . . . 0.0 109.208 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.165 0.916 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 . . . . . 0 CA--C 1.539 0.529 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.4 tt -52.89 -50.43 63.89 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 124.699 1.249 . . . . 0.0 109.225 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.47 -48.98 79.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.467 1.104 . . . . 0.0 109.471 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -58.32 -33.45 69.51 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.632 1.207 . . . . 0.0 109.622 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 2.6 ttm -71.07 -49.52 43.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 124.777 1.298 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 8' ' ' LEU . 26.9 m -88.82 13.41 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.508 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -81.3 -23.14 38.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 110.282 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -95.71 -20.18 19.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.005 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.0 125.03 26.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.51 -53.16 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 1.202 . . . . 0.0 109.181 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.06 36.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.945 1.403 . . . . 0.0 111.133 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.3 ptt180 -46.45 -40.41 12.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.654 1.221 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.441 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -76.7 -41.21 46.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 53' ' ' MET . 1.4 m -72.44 -40.3 67.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' ARG . 3.4 t -57.54 -46.91 86.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.661 1.226 . . . . 0.0 109.263 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -72.97 -40.92 64.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.78 -40.3 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 29' ' ' ILE . 6.2 m -68.72 -58.28 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.751 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -48.22 -47.32 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.528 1.143 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 5.6 t-20 -49.29 -69.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 0.0 109.264 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.451 HG21 HD23 ' A' ' 124' ' ' LEU . 70.4 t -40.4 -41.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 26' ' ' VAL . 17.8 mt -66.9 -57.41 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.2 m -54.71 -43.09 72.26 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.588 1.18 . . . . 0.0 110.175 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.48 -34.1 76.17 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.378 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.425 ' OH ' HD11 ' A' ' 132' ' ' ILE . 5.7 m-85 -139.71 108.6 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -76.18 57.52 1.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.564 1.165 . . . . 0.0 109.448 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.4 -48.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.954 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 57' ' ' GLY . 3.8 mm? -64.47 110.12 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 148.61 34.9 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.357 0.977 0 O-C-N 124.272 1.67 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.47 159.08 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.937 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -150.53 108.87 3.77 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 124.35 1.032 . . . . 0.0 109.538 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.548 ' N ' HD22 ' A' ' 39' ' ' LEU . 10.2 t70 -133.38 144.34 49.52 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.552 1.158 . . . . 0.0 109.531 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 p -87.7 128.18 35.3 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.326 1.016 . . . . 0.0 109.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -109.59 122.32 47.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.452 -0.349 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.33 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p . . . . . 0 N--CA 1.452 -0.369 0 N-CA-C 110.117 -0.327 . . . . 0.0 110.117 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.738 HH21 HD11 ' A' ' 52' ' ' LEU . 10.9 ttp180 -95.38 148.81 22.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.175 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.695 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.1 mp0 -90.11 117.39 28.85 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.761 1.288 . . . . 0.0 110.534 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.738 HD11 HH21 ' A' ' 50' ' ' ARG . 4.2 mm? -127.01 148.43 50.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.615 1.197 . . . . 0.0 109.654 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 21' ' ' THR . 22.4 ptm -105.11 153.15 21.9 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.732 1.27 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -145.05 147.57 32.74 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.54 111.17 23.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.8 m -110.93 137.62 48.34 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.223 0.952 . . . . 0.0 110.649 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.419 ' N ' HD13 ' A' ' 35' ' ' LEU . . . 177.26 -161.3 28.73 Favored Glycine 0 CA--C 1.528 0.863 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -140.28 143.36 35.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 0.702 . . . . 0.0 110.195 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 pt -112.41 152.6 44.68 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.607 1.192 . . . . 0.0 108.97 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.82 102.76 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.614 1.85 . . . . 0.0 111.129 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.8 93.69 46.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.354 1.034 . . . . 0.0 109.592 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.82 144.64 31.18 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.608 1.846 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -179.39 35.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.61 1.193 . . . . 0.0 110.926 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -168.08 34.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.261 0.975 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.18 -7.12 76.93 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -148.7 -174.89 4.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 0.743 . . . . 0.0 109.447 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -97.19 141.57 30.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.182 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.09 162.74 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -107.02 82.23 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.367 1.042 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.451 HG21 ' HD2' ' A' ' 135' ' ' PHE . 25.6 mm -74.21 114.31 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.201 . . . . 0.0 109.288 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 130.97 13.91 Favored 'Trans proline' 0 C--N 1.362 1.288 0 O-C-N 124.605 1.845 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pt -135.88 157.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 O-C-N 124.269 0.981 . . . . 0.0 109.248 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.85 141.13 42.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -123.95 148.29 47.03 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.781 1.3 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 81.6 m95 -121.2 139.58 53.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 77' ' ' LEU . 7.7 mp -120.59 -176.16 3.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -151.28 172.89 15.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.579 1.174 . . . . 0.0 109.224 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.4 -35.53 54.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.42 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.14 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -127.63 164.85 33.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 111.011 179.649 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.8 Cg_endo -75.17 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.91 0.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -76.84 107.8 9.42 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.719 1.262 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 3.1 t-20 -48.12 -48.63 63.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.95 148.35 35.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.97 165.22 31.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.2 mp -102.02 144.35 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.469 ' HB3' ' CE ' ' A' ' 131' ' ' MET . 85.9 m -93.16 131.99 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 108.235 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.408 ' CE2' ' HD3' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -140.0 162.34 35.44 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.644 1.215 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 107' ' ' GLY . 8.7 m -120.81 157.37 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.285 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.98 91.56 42.33 Favored Pre-proline 0 N--CA 1.451 -0.375 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -74.62 159.34 42.73 Favored 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.803 1.949 . . . . 0.0 111.161 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 p -105.84 -152.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.697 1.248 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -44.77 4.97 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 t -59.19 -56.07 26.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.84 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.906 ' HB3' HG22 ' A' ' 141' ' ' VAL . 2.5 mpp? -78.47 -174.61 3.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.7 1.25 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 97' ' ' ILE . 14.8 t -134.26 -158.11 0.86 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.117 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -136.93 89.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.666 1.228 . . . . 0.0 109.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.454 ' HB2' ' CB ' ' A' ' 142' ' ' PHE . 0.1 OUTLIER -64.48 86.15 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 p -41.29 139.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.285 0.99 . . . . 0.0 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.34 -163.68 9.78 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -29.33 60.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -109.7 -28.83 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.782 HG21 ' HB3' ' A' ' 140' ' ' PRO . 79.6 t -82.66 98.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -74.84 -179.49 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.56 -2.83 51.45 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 109.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -109.87 18.08 20.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.792 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 57.54 38.49 87.67 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.442 1.088 . . . . 0.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HD3' ' CE2' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -108.23 132.46 53.63 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.503 0.767 . . . . 0.0 109.397 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.518 HD11 ' CG1' ' A' ' 89' ' ' VAL . 28.9 mm -80.36 99.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.13 85.13 3.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 114' ' ' LEU . 10.3 mt -100.45 108.75 54.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 18.4 Cg_endo -74.94 -5.43 16.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -55.44 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.868 HD13 HD21 ' A' ' 127' ' ' LEU . 2.5 pp -81.57 -7.05 59.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 112' ' ' PRO . 65.3 t60 -70.37 -46.33 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.31 9.87 16.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.413 ' CZ2' ' HB2' ' A' ' 121' ' ' GLN . 23.1 t90 -129.37 154.85 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.952 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.6 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -166.99 104.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.378 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.608 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 63.01 165.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.608 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.97 -52.37 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.027 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.413 ' HB2' ' CZ2' ' A' ' 117' ' ' TRP . 1.3 mt-30 -47.06 -50.11 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.927 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 127' ' ' LEU . 4.9 m-20 -148.25 -176.97 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.451 HD23 HG21 ' A' ' 28' ' ' VAL . 2.8 mp -48.4 -38.17 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.505 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 1.0 OUTLIER -69.72 -59.91 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.6 -15.6 33.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.868 HD21 HD13 ' A' ' 114' ' ' LEU . 16.7 mt -82.97 -53.97 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 mm -59.15 -16.61 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.12 -59.34 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -44.65 -43.19 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.541 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 35.6 mtt -64.88 -53.55 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.425 HD11 ' OH ' ' A' ' 32' ' ' TYR . 4.0 mt -44.9 -31.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -93.33 -63.26 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.7 t -41.89 -42.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 131' ' ' MET . 6.1 m-85 -89.11 -30.28 18.75 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.26 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.6 70.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.65 -54.61 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.45 118.65 4.2 Favored Pre-proline 0 N--CA 1.447 -0.608 0 O-C-N 124.776 1.297 . . . . 0.0 110.486 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.51 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 18.7 Cg_endo -74.56 145.34 33.17 Favored 'Trans proline' 0 C--N 1.356 0.965 0 O-C-N 124.4 1.737 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.782 ' HB3' HG21 ' A' ' 103' ' ' VAL . 17.9 Cg_endo -75.43 -24.33 12.26 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.251 1.658 . . . . 0.0 110.801 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -53.29 -48.45 55.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 124.958 1.411 . . . . 0.0 109.437 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.492 ' N ' ' CG1' ' A' ' 141' ' ' VAL . 1.4 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.1 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 N-CA-C 110.283 -0.266 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.593 ' O ' HG22 ' A' ' 12' ' ' VAL . 11.7 tp -58.82 -41.78 87.63 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.986 1.429 . . . . 0.0 109.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -68.11 -48.58 65.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 109.158 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -22.62 67.02 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.78 1.3 . . . . 0.0 109.375 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.7 mtt -78.04 -49.23 14.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.886 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 8' ' ' LEU . 17.3 m -99.87 20.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.596 1.185 . . . . 0.0 108.901 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -78.49 1.27 22.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 124.215 0.947 . . . . 0.0 110.247 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -98.64 -13.61 20.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.583 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.47 ' CE2' HG21 ' A' ' 21' ' ' THR . 3.0 m-30 -65.79 164.51 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -98.6 -39.29 8.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.487 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LEU . 5.2 m-85 -101.48 36.27 2.07 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' THR . 18.5 mtp180 -39.97 -71.04 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.759 1.287 . . . . 0.0 110.429 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 3.2 m-20 -39.93 -32.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.688 1.242 . . . . 0.0 109.392 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -77.65 -50.91 11.51 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.643 1.214 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.47 HG21 ' CE2' ' A' ' 15' ' ' TYR . 8.7 m -62.46 -27.84 69.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -77.25 -40.75 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.494 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.07 -52.51 64.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.798 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.7 pt-20 -63.56 -40.35 96.77 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m -61.78 -38.81 89.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -71.43 -45.96 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.407 -179.737 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 41.4 t-20 -64.95 -52.28 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.285 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 24' ' ' GLU . 39.8 t -43.14 -62.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' TYR . 3.0 pt -62.01 -55.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m -42.5 -46.12 4.7 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.574 1.171 . . . . 0.0 110.526 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -44.84 78.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.633 1.208 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 132' ' ' ILE . 38.0 m-85 -132.83 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -81.75 56.94 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.73 -46.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.926 1.391 . . . . 0.0 109.103 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.798 HD13 ' HA3' ' A' ' 57' ' ' GLY . 3.2 mm? -67.24 128.44 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 124.282 0.989 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 139.08 20.69 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 109.391 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -75.14 136.95 20.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 O-C-N 124.413 1.744 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.08 157.89 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.364 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -122.91 116.11 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.203 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -144.58 135.36 24.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.467 1.104 . . . . 0.0 109.024 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 59.8 p -100.58 159.07 15.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -129.64 114.65 16.29 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.383 1.052 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.422 ' H ' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.447 -0.582 0 O-C-N 124.918 1.386 . . . . 0.0 109.505 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.052 0.453 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 3.1 mtt180 -61.63 123.47 18.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.115 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.622 ' C ' HD22 ' A' ' 52' ' ' LEU . 84.4 mt-10 -71.19 112.81 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.792 1.307 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.622 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.9 mm? -132.95 149.35 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.595 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.14 124.56 47.95 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -104.01 156.14 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -116.11 100.89 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.175 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -105.34 136.67 44.44 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.361 1.038 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.798 ' HA3' HD13 ' A' ' 35' ' ' LEU . . . -163.5 174.51 39.74 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.557 1.161 . . . . 0.0 110.92 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -128.26 119.41 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 0.821 . . . . 0.0 110.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.558 HG23 ' HD2' ' A' ' 60' ' ' PRO . 10.3 mt -94.35 140.52 22.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 59' ' ' ILE . 17.9 Cg_endo -74.92 128.97 11.98 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.251 1.658 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 61' ' ' VAL . 6.4 t -125.84 97.38 35.82 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.416 1.072 . . . . 0.0 109.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -75.14 93.07 0.97 Allowed 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.697 1.893 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 14.8 t80 -85.2 83.9 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.95 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.16 -36.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.456 1.097 . . . . 0.0 111.053 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -83.16 146.65 28.52 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.411 0.713 . . . . 0.0 109.497 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.6 m -108.54 136.62 47.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.184 0.927 . . . . 0.0 110.254 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -109.59 162.63 14.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.929 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -111.18 68.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.616 1.198 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.25 107.52 0.86 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.606 1.191 . . . . 0.0 109.267 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 136.0 19.93 Favored 'Trans proline' 0 C--N 1.362 1.289 0 O-C-N 124.578 1.831 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 pt -142.68 155.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.662 1.226 . . . . 0.0 109.036 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -140.0 139.35 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.56 158.77 25.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.983 1.427 . . . . 0.0 109.432 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -126.63 122.0 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.745 HD11 ' OE2' ' A' ' 24' ' ' GLU . 3.6 mm? -95.05 167.79 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.939 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -143.04 163.31 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 79' ' ' THR . 2.4 p30 -81.2 -38.75 26.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.746 HG22 ' OD1' ' A' ' 78' ' ' ASP . 5.0 t -175.52 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.418 1.074 . . . . 0.0 110.433 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.59 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -99.9 170.22 7.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 O-C-N 124.435 1.084 . . . . 0.0 111.085 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.59 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 18.6 Cg_endo -74.71 -35.21 3.0 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.091 -2.462 . . . . 0.0 111.358 -0.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 69.6 m-85 -95.67 -65.86 0.95 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.939 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.6 m-20 160.36 -49.26 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 124.542 1.151 . . . . 0.0 109.106 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.5 Cg_endo -74.97 145.56 31.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' CH2' ' A' ' 117' ' ' TRP . 18.5 Cg_endo -74.96 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.452 HG21 ' CE2' ' A' ' 88' ' ' PHE . 2.9 mt -104.76 160.24 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.405 ' N ' HG22 ' A' ' 86' ' ' ILE . 68.3 m -121.95 134.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.249 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 86' ' ' ILE . 17.0 m-85 -139.17 132.76 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.51 138.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.384 1.053 . . . . 0.0 109.541 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -105.8 112.48 64.43 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.824 1.327 . . . . 0.0 109.261 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.568 ' HB3' HD12 ' A' ' 97' ' ' ILE . 19.0 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.363 1.302 0 O-C-N 124.264 1.665 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.9 p -136.94 163.52 30.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.551 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -87.3 -32.43 19.68 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.425 1.078 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -41.35 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.722 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.586 ' HG3' HG12 ' A' ' 141' ' ' VAL . 0.0 OUTLIER -140.63 147.03 38.7 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -60.84 -161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 91' ' ' PRO . 13.3 tt -124.4 126.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.396 1.06 . . . . 0.0 108.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -79.8 104.7 10.56 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.106 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.8 p -83.24 143.1 30.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.335 1.022 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.46 -128.2 1.43 Allowed Glycine 0 CA--C 1.533 1.199 0 O-C-N 124.471 1.107 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -85.46 -62.22 1.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 124.746 0.909 . . . . 0.0 109.317 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.721 ' ND1' HG23 ' A' ' 103' ' ' VAL . 6.3 p80 -70.81 -48.77 52.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.721 HG23 ' ND1' ' A' ' 102' ' ' HIS . 39.5 t -74.51 94.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.59 1.181 . . . . 0.0 109.136 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.74 -19.1 38.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.739 1.274 . . . . 0.0 109.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.52 34.01 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.202 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' A' ' 97' ' ' ILE . . . 44.22 53.84 6.51 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.579 1.174 . . . . 0.0 110.939 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -117.8 149.24 41.13 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.646 0.851 . . . . 0.0 109.466 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 109' ' ' ILE . 8.4 mm -80.64 102.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.732 1.27 . . . . 0.0 109.268 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.23 50.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 102' ' ' HIS . 30.4 mt -75.23 150.2 85.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -18.18 18.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -28.41 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -33.21 59.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.12 36.29 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 122' ' ' SER . 2.8 t90 -82.11 102.22 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.616 1.197 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.574 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -139.88 14.17 2.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.574 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.63 163.48 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.08 -15.34 22.56 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.99 0.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -36.74 -66.53 0.22 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 15.3 t -93.42 164.08 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -179.68 149.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -40.23 -38.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.494 ' H ' HD22 ' A' ' 125' ' ' LEU . 1.9 mm? -68.27 -59.85 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.94 -20.36 40.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' ASP . 1.6 mm? -68.58 -53.7 21.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -69.49 -19.42 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.38 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.21 -56.31 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -54.27 -46.8 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.564 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 43.0 mtt -57.88 -39.81 78.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 mt -63.5 -30.35 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' VAL . 57.6 t -86.52 -64.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 133' ' ' VAL . 6.7 t -40.49 -50.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 131' ' ' MET . 10.7 m-30 -76.96 -31.24 56.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.558 1.162 . . . . 0.0 111.226 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.53 -12.18 51.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.366 1.041 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.66 -48.7 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.02 151.8 18.14 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.791 1.307 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.82 113.76 3.87 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 17.9 Cg_endo -75.47 -0.03 9.64 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 95' ' ' MET . 57.6 t -86.73 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.269 0.981 . . . . 0.0 109.2 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 t80 . . . . . 0 C--N 1.327 -0.389 0 O-C-N 124.224 0.952 . . . . 0.0 110.923 -179.891 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 . . . . . 0 N--CA 1.447 -0.586 0 N-CA-C 110.587 -0.153 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.653 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -55.97 -36.42 67.82 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.808 1.317 . . . . 0.0 109.284 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 12' ' ' VAL . 31.5 mttt -78.83 -29.45 44.69 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -46.96 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.419 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.758 ' HG3' HG13 ' A' ' 12' ' ' VAL . 23.0 ptp -62.47 -36.32 82.09 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 124.848 1.343 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.758 HG13 ' HG3' ' A' ' 11' ' ' MET . 24.2 m -90.12 -3.72 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 124.708 1.255 . . . . 0.0 108.906 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 t -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 -35.96 37.49 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.267 0.979 . . . . 0.0 109.096 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.594 ' CD2' HG21 ' A' ' 21' ' ' THR . 1.0 OUTLIER -51.19 111.17 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.659 1.224 . . . . 0.0 111.04 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 36.8 tttt -45.42 -64.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.047 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 17.9 m-30 -80.14 52.63 1.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 125.117 1.511 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -52.68 61.8 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.325 1.016 . . . . 0.0 110.016 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.72 -37.4 50.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.374 1.046 . . . . 0.0 109.315 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -52.84 8.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.859 1.35 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.594 HG21 ' CD2' ' A' ' 15' ' ' TYR . 16.8 m -53.8 -42.69 68.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.47 -39.85 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 O-C-N 124.536 1.148 . . . . 0.0 109.679 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -59.79 -52.03 67.2 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.417 1.073 . . . . 0.0 110.177 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -67.84 -35.28 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -64.45 -43.95 92.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.592 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -72.03 -42.46 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.365 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 7.7 m-80 -63.97 -49.88 70.77 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.189 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.7 t -49.57 -71.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.8 pt -43.57 -54.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 m -53.92 -42.37 68.68 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.151 . . . . 0.0 110.059 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -52.48 -43.62 65.12 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.669 1.23 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.775 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 22.6 m-85 -104.17 -175.16 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 51.6 mmtt -141.02 51.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.883 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 m-20 173.54 52.28 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.22 0.95 . . . . 0.0 109.416 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.54 HD22 HG12 ' A' ' 28' ' ' VAL . 1.5 mp -118.12 152.03 36.41 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.47 110.53 5.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.202 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.45 134.92 17.64 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 124.556 1.819 . . . . 0.0 110.762 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -121.2 162.68 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.762 HD21 ' HG2' ' A' ' 51' ' ' GLU . 2.3 tm? -137.43 108.08 6.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.608 1.193 . . . . 0.0 108.861 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.84 132.44 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.6 p -107.28 148.82 28.49 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -131.05 119.55 22.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.35 1.031 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.421 HG12 ' H ' ' A' ' 43' ' ' VAL . 2.5 p . . . . . 0 C--N 1.323 -0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.225 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p . . . . . 0 CA--C 1.531 0.242 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -97.92 114.96 27.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.365 1.041 . . . . 0.0 110.404 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.762 ' HG2' HD21 ' A' ' 39' ' ' LEU . 6.9 tt0 -83.45 113.5 20.81 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.548 1.155 . . . . 0.0 110.231 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.573 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.2 mm? -119.78 148.05 43.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.2 ptm -115.5 133.0 56.45 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 124.759 1.287 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.61 144.16 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.3 mt -109.07 115.83 30.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.374 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 t -122.19 142.71 50.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.706 1.254 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.49 170.66 43.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 p -121.02 118.2 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.775 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 7.6 pt -92.28 150.94 41.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.098 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.25 147.13 32.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.391 1.732 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.635 HG21 HD12 ' A' ' 70' ' ' ILE . 2.4 t -149.85 110.01 3.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.434 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.67 95.36 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.83 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.8 t80 -88.62 82.97 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.558 1.162 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 4.2 mmm180 88.06 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.87 -30.78 0.15 Allowed Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.48 1.112 . . . . 0.0 111.072 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -77.45 152.97 33.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.276 0.633 . . . . 0.0 109.712 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -92.96 118.09 30.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.181 0.926 . . . . 0.0 110.463 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 1.4 t80 -102.37 150.29 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -120.05 86.94 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 61' ' ' VAL . 9.3 mt -84.37 123.54 74.78 Favored Pre-proline 0 C--N 1.32 -0.692 0 O-C-N 124.38 1.05 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.609 ' O ' HG23 ' A' ' 72' ' ' ILE . 18.7 Cg_endo -75.05 156.04 42.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.591 1.838 . . . . 0.0 111.244 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.609 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.7 pp -157.66 133.78 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.734 1.272 . . . . 0.0 109.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 0.8 OUTLIER -114.86 153.68 30.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.552 1.158 . . . . 0.0 108.06 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.83 125.86 12.08 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.004 1.44 . . . . 0.0 109.319 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 50.9 m95 -97.42 143.77 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 108.042 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.607 HD22 ' C ' ' A' ' 75' ' ' TRP . 1.6 mm? -113.88 179.44 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.24 -179.05 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.581 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -112.03 -32.08 6.69 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 124.669 1.231 . . . . 0.0 109.172 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 173.81 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.654 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.473 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -152.65 165.36 17.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.897 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.7 Cg_endo -74.75 -56.79 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.077 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 10.9 m-85 -67.16 102.74 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.639 1.212 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.653 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -59.09 -43.64 97.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.0 Cg_endo -75.03 140.08 24.96 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.483 1.78 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.08 165.52 31.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.419 1.747 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.97 148.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 114' ' ' LEU . 84.7 m -124.59 133.55 53.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 7.1 p90 -166.55 149.74 6.99 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 71' ' ' PRO . 11.1 p -87.9 147.74 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.221 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.87 128.63 47.29 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.557 1.161 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.81 144.8 31.42 Favored 'Trans proline' 0 C--N 1.355 0.902 0 O-C-N 124.872 1.985 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.5 p -117.34 -179.13 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.9 p -81.21 -38.69 26.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.394 1.058 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -87.74 -53.32 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 141' ' ' VAL . 18.7 mtm -86.12 165.26 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.562 1.164 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.519 HG23 ' N ' ' A' ' 97' ' ' ILE . 14.3 t -137.74 -153.42 0.48 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.634 1.208 . . . . 0.0 110.666 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.613 HG21 ' HA2' ' A' ' 107' ' ' GLY . 17.8 mt -132.22 114.38 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.404 1.065 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.38 96.64 3.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.118 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.0 p -54.74 135.9 46.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.24 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.28 -136.52 2.21 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -86.27 -61.01 1.84 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -33.9 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.661 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 140' ' ' PRO . 60.6 t -89.29 86.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.414 1.071 . . . . 0.0 109.177 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.87 -159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.659 1.224 . . . . 0.0 109.471 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.34 -17.34 37.09 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.261 0.976 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.51 29.14 5.0 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.461 1.101 . . . . 0.0 109.417 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.613 ' HA2' HG21 ' A' ' 97' ' ' ILE . . . 43.03 26.91 0.54 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.574 1.171 . . . . 0.0 111.171 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 2.4 ttpp -84.9 144.9 28.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 124.381 0.695 . . . . 0.0 109.153 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.74 ' CG2' HD12 ' A' ' 111' ' ' LEU . 19.6 mm -82.47 98.34 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 29.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.74 HD12 ' CG2' ' A' ' 109' ' ' ILE . 20.6 mt -52.2 153.78 4.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.11 18.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -44.55 23.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.499 HD11 ' SG ' ' A' ' 87' ' ' CYS . 2.0 tt -66.84 -43.3 84.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -60.52 -38.59 84.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.613 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 32.77 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.575 ' CD1' ' HB3' ' A' ' 122' ' ' SER . 4.4 t90 -83.81 109.2 17.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.066 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -120.07 74.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -41.62 162.19 0.13 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.98 1.88 15.34 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.053 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.444 ' N ' ' HA ' ' A' ' 119' ' ' HIS . 37.9 mm-40 -34.65 -65.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.575 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.03 162.41 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.93 158.79 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 24' ' ' GLU . 6.3 mp -45.01 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.554 ' H ' HD22 ' A' ' 125' ' ' LEU . 1.6 mm? -51.3 -55.09 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.83 -43.14 99.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -62.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.435 HG23 ' OH ' ' A' ' 32' ' ' TYR . 26.2 mm -45.1 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -59.15 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -51.06 -46.69 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.594 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 9.7 mtt -61.72 -30.42 70.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.08 -31.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.44 -61.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -40.61 -49.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 131' ' ' MET . 10.8 m-30 -79.56 -31.98 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.12 -21.23 45.68 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.3 OUTLIER -95.82 -50.13 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 9.6 mt-10 -164.72 127.65 1.63 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.446 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.04 150.46 38.01 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 18.7 Cg_endo -74.79 -32.34 5.8 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.585 1.834 . . . . 0.0 111.17 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 142' ' ' PHE . 1.2 p -55.98 165.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 124.869 1.356 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 141' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.533 0 O-C-N 124.397 1.061 . . . . 0.0 111.139 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 . . . . . 0 N--CA 1.45 -0.457 0 CA-C-O 120.578 0.228 . . . . 0.0 110.577 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -57.65 -45.88 84.91 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 124.741 1.276 . . . . 0.0 109.4 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' SER . 7.6 mttt -71.36 -62.29 1.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.95 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -45.45 -29.37 1.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ttm -69.44 -49.62 53.38 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.664 1.228 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.528 HG21 ' CG2' ' A' ' 22' ' ' VAL . 34.7 m -97.62 20.16 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.404 1.065 . . . . 0.0 109.459 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.4 m -82.31 -35.96 27.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.595 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -34.82 42.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.226 0.954 . . . . 0.0 109.336 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 4.9 m-85 -54.71 166.41 0.48 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -53.27 3.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.394 1.059 . . . . 0.0 109.344 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.45 36.9 0.89 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.329 1.018 . . . . 0.0 111.021 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 17.9 ptt180 -42.73 -33.75 0.79 Allowed 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.693 1.246 . . . . 0.0 110.337 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -66.37 -46.31 77.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 109.135 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -70.38 -33.93 71.98 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.714 1.259 . . . . 0.0 109.209 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.938 HG23 HD23 ' A' ' 76' ' ' LEU . 22.4 m -72.19 -51.55 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.528 ' CG2' HG21 ' A' ' 12' ' ' VAL . 15.5 t -58.86 -41.59 83.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.547 1.155 . . . . 0.0 109.666 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.93 -52.67 64.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.382 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -59.37 -38.44 80.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.339 1.025 . . . . 0.0 110.364 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.28 -37.51 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -70.09 -42.6 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.116 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.469 ' OD1' HD11 ' A' ' 125' ' ' LEU . 3.8 t-20 -67.59 -54.03 23.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.657 1.223 . . . . 0.0 109.164 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.5 t -42.01 -60.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.0 pt -61.94 -56.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -42.75 -44.91 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -69.38 -44.99 70.38 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.756 1.285 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 31' ' ' LEU . 41.2 m-85 -127.57 113.71 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -85.16 57.77 4.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.333 1.021 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -47.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.803 HD11 HD11 ' A' ' 59' ' ' ILE . 6.2 mp -63.19 126.3 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.612 1.195 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -108.35 130.44 22.77 Favored Pre-proline 0 N--CA 1.449 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.644 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.556 ' HA ' HD23 ' A' ' 55' ' ' LEU . 20.4 Cg_endo -74.42 135.94 20.97 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.367 1.719 . . . . 0.0 111.272 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.88 159.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.678 1.236 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.837 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -136.05 104.2 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.535 1.147 . . . . 0.0 109.449 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 145.78 50.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 p -106.25 155.87 19.05 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 109.894 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -147.52 161.71 40.54 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER . . . . . 0 C--O 1.239 0.509 0 O-C-N 124.418 1.073 . . . . 0.0 109.604 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 110.181 -0.303 . . . . 0.0 110.181 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 148.42 31.78 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.457 1.098 . . . . 0.0 110.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.765 ' C ' HD22 ' A' ' 52' ' ' LEU . 4.0 mt-10 -101.51 123.61 45.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 124.807 1.317 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.765 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.9 mm? -133.41 154.87 50.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.433 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 ttm -103.14 119.96 39.81 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.739 1.274 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -106.56 124.92 50.33 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.4 mt -98.11 116.34 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.452 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -122.06 132.98 54.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.475 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . -159.01 177.26 35.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.079 . . . . 0.0 111.076 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 p -119.92 119.08 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 0.767 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 35' ' ' LEU . 3.7 mp -102.07 139.58 20.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 108.995 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.87 130.79 13.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.718 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.5 t -123.13 81.82 51.51 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.606 1.191 . . . . 0.0 109.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.07 133.19 16.2 Favored 'Trans proline' 0 C--N 1.364 1.377 0 O-C-N 124.667 1.877 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -178.89 39.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.8 34.85 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.22 -20.27 17.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 61.8 m-20 -128.99 179.57 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.014 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -115.11 141.24 48.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.785 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -90.06 175.12 7.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.403 1.064 . . . . 0.0 110.893 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -125.79 71.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.297 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.621 HG21 ' HD2' ' A' ' 135' ' ' PHE . 29.5 mt -90.75 113.12 56.82 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 124.678 1.236 . . . . 0.0 109.285 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 18.3 Cg_endo -74.92 162.92 36.48 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 O-C-N 124.349 1.71 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.622 HG12 HD13 ' A' ' 59' ' ' ILE . 2.1 pp -153.05 134.47 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 t -112.78 148.7 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 108.38 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 76' ' ' LEU . 1.7 tt -140.54 121.82 14.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.474 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 96.1 m95 -93.43 135.21 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.938 HD23 HG23 ' A' ' 21' ' ' THR . 7.5 mp -105.69 177.58 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.009 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -150.14 172.95 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.31 -36.85 17.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -178.33 -32.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.8 OUTLIER -102.08 169.2 7.92 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.628 1.205 . . . . 0.0 111.042 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.0 Cg_endo -74.94 -36.07 2.71 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.928 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.433 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 20.8 m-85 -91.69 -69.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.351 1.032 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.009 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.3 m-20 161.08 -50.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.03 154.18 42.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.474 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.0 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.38 139.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.443 ' CB ' ' HB ' ' A' ' 109' ' ' ILE . 61.6 m -82.72 136.81 34.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -147.95 169.5 19.73 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.62 1.2 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.0 p -125.64 151.77 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.223 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.4 90.17 41.85 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.717 1.261 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.12 140.03 24.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.213 1.638 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -97.0 -174.02 2.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.676 1.235 . . . . 0.0 110.246 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.01 -49.13 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.338 1.024 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.83 76.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.927 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.461 ' HG2' ' CG1' ' A' ' 141' ' ' VAL . 0.8 OUTLIER -93.99 -179.41 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.136 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.447 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 10.2 t -128.45 -158.32 0.87 Allowed 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.471 1.107 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.7 OUTLIER -131.9 141.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.191 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 142' ' ' PHE . 3.6 tttm -99.24 75.55 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -46.66 136.74 7.54 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.76 -136.61 2.02 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.56 1.162 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.74 -32.84 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-70 -103.63 -27.71 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.363 1.039 . . . . 0.0 109.511 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.58 -21.87 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.411 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.82 -161.19 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.72 1.262 . . . . 0.0 109.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.5 -24.49 13.43 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.811 1.319 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -102.94 29.73 5.24 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 124.53 1.144 . . . . 0.0 109.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.883 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 43.1 52.25 5.89 Favored Glycine 0 CA--C 1.534 1.225 0 O-C-N 124.588 1.18 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.5 ttpt -113.79 114.91 26.96 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.756 0.915 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.715 ' CG2' HD12 ' A' ' 111' ' ' LEU . 12.6 mm -54.23 96.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 O-C-N 124.504 1.128 . . . . 0.0 109.155 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 31.57 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.715 HD12 ' CG2' ' A' ' 109' ' ' ILE . 29.8 mt -52.53 118.9 13.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . 0.505 ' HD3' ' CE1' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -75.03 -16.41 20.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 117' ' ' TRP . 4.5 m-85 -85.82 -59.73 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -46.0 -38.64 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.72 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -102.67 36.8 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 122' ' ' SER . 10.5 t90 -100.83 -103.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 107.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 40.45 72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.251 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.626 ' CG ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 171.26 150.86 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.91 -8.54 23.42 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.098 -0.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -165.28 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -39.39 158.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.09 -179.92 8.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 28' ' ' VAL . 1.8 mt -46.28 -50.36 16.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 125' ' ' LEU . 6.2 mp -51.08 -56.47 12.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.63 -35.09 61.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 114' ' ' LEU . 4.2 mp -59.97 -73.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.19 -27.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 127' ' ' LEU . 12.1 tt0 -59.38 -60.78 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -48.82 -45.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.434 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 38.8 mtt -58.27 -54.48 46.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.65 -29.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.94 -63.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 t -43.0 -40.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.621 ' HD2' HG21 ' A' ' 70' ' ' ILE . 6.2 m-85 -89.49 -30.58 18.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.4 -18.87 70.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.386 1.054 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.73 -41.02 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -146.07 118.42 5.06 Favored Pre-proline 0 N--CA 1.45 -0.462 0 O-C-N 124.132 0.895 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.66 113.46 3.8 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.559 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 17.8 Cg_endo -75.22 -0.29 9.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.41 1.742 . . . . 0.0 110.786 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 95' ' ' MET . 3.5 t -76.19 -25.79 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 124.076 0.86 . . . . 0.0 109.17 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' LYS . 2.5 t80 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.173 0.921 . . . . 0.0 110.994 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.9 OUTLIER . . . . . 0 N--CA 1.448 -0.548 0 N-CA-C 110.348 -0.242 . . . . 0.0 110.348 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.589 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.4 mm? -48.96 -45.75 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.17 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.523 ' HA ' HG22 ' A' ' 12' ' ' VAL . 2.8 tttt -65.37 -58.93 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 0.0 109.109 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -52.87 -24.65 9.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.209 0.943 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLN . 22.6 mtt -81.76 -43.14 18.79 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.132 0.895 . . . . 0.0 111.247 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 8' ' ' LEU . 31.8 m -89.49 13.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 t -78.83 -38.25 38.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.087 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -72.6 -28.46 62.8 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.848 1.343 . . . . 0.0 108.854 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -58.31 145.41 37.99 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.711 1.257 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 1.8 ttpt -82.42 -57.35 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 79' ' ' THR . 17.4 m-85 -84.99 44.96 1.12 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.649 1.218 . . . . 0.0 111.041 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HE ' HG21 ' A' ' 22' ' ' VAL . 11.5 ttt180 -56.09 -67.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.141 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -28.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.376 1.047 . . . . 0.0 109.488 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -81.78 -49.75 10.04 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' ARG . 15.8 m -63.15 -51.01 68.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.486 HG21 ' HE ' ' A' ' 18' ' ' ARG . 3.0 t -58.52 -42.99 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 O-C-N 124.5 1.125 . . . . 0.0 109.505 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.09 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.394 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.5 tp10 -61.75 -35.72 78.92 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 124.569 1.168 . . . . 0.0 110.383 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -69.75 -59.79 2.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.648 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.76 -39.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.284 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.429 HD21 HD21 ' A' ' 125' ' ' LEU . 4.1 t-20 -70.77 -61.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 24' ' ' GLU . 22.1 t -39.37 -54.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.331 1.019 . . . . 0.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.8 pt -65.19 -55.2 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.4 m -44.95 -45.08 10.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.829 1.331 . . . . 0.0 109.937 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -41.5 65.2 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.795 1.31 . . . . 0.0 109.18 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.9 m-85 -128.88 86.2 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -41.07 69.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.915 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -41.71 -45.82 3.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.281 0.988 . . . . 0.0 109.435 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.427 HD21 HD11 ' A' ' 72' ' ' ILE . 7.9 mp -65.13 131.1 45.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.622 1.201 . . . . 0.0 109.303 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -123.67 128.84 25.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.62 1.2 . . . . 0.0 109.472 179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.85 142.28 28.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.563 1.823 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 39' ' ' LEU . 14.3 t -130.27 164.8 32.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.589 1.18 . . . . 0.0 109.203 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.8 tm? -127.56 109.82 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.033 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.14 122.09 46.78 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.7 p -98.81 135.46 40.24 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.786 1.304 . . . . 0.0 110.104 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.7 168.96 18.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.422 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.6 p . . . . . 0 N--CA 1.451 -0.383 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 162.94 39.27 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.349 1.031 . . . . 0.0 110.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.768 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.7 mp0 -107.08 120.29 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.616 1.197 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.768 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.2 mm? -131.17 118.82 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.7 ttp -79.46 156.41 27.86 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.39 132.45 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.606 HD12 HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -88.86 119.69 29.58 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.316 1.01 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.2 m -124.17 132.24 53.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 124.459 1.1 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.76 40.54 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.365 1.041 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -120.67 117.26 27.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.631 HG23 ' HD2' ' A' ' 60' ' ' PRO . 30.3 mt -97.02 141.47 23.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 108.982 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 59' ' ' ILE . 19.2 Cg_endo -74.82 128.85 11.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.587 1.835 . . . . 0.0 111.173 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.25 115.1 15.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.618 1.199 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 17.8 Cg_endo -75.4 124.09 8.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.409 1.742 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -93.18 -65.26 1.01 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.89 58.97 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.78 -20.45 36.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 19.3 m-80 -109.37 168.4 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.716 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.9 m -118.92 128.81 54.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.179 0.925 . . . . 0.0 110.604 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -105.88 157.91 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.264 0.977 . . . . 0.0 111.043 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -108.93 89.69 3.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.342 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.748 HG21 ' HD2' ' A' ' 135' ' ' PHE . 29.1 mm -79.96 114.31 45.31 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.12 139.7 24.29 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.385 1.729 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.427 HD11 HD21 ' A' ' 35' ' ' LEU . 1.4 pp -137.76 146.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 O-C-N 124.372 1.045 . . . . 0.0 109.228 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.8 t -134.79 132.75 39.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.472 1.108 . . . . 0.0 108.219 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 HD12 ' A' ' 55' ' ' LEU . 2.1 tm? -118.88 102.02 8.48 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 124.535 1.147 . . . . 0.0 109.441 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -70.11 147.69 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.1 mt -131.42 171.73 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.71 178.4 7.66 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.535 1.147 . . . . 0.0 109.391 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.66 -31.39 19.79 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.406 1.066 . . . . 0.0 109.408 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.569 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER 176.51 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.51 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -121.97 160.6 46.5 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 19.8 Cg_endo -74.86 -55.44 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.176 -0.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.427 ' C ' ' HD2' ' A' ' 84' ' ' PRO . 7.6 m-85 -78.38 115.66 18.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.195 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 m-20 -51.28 -45.72 89.48 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.462 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.0 149.59 36.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CH2' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.0 164.61 33.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.472 ' O ' HD22 ' A' ' 74' ' ' LEU . 3.0 mp -104.35 140.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.1 m -92.7 149.71 21.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -160.86 156.89 25.74 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.72 1.262 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 107' ' ' GLY . 34.0 m -123.02 99.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.841 1.338 . . . . 0.0 109.194 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -66.79 112.7 10.3 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.169 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.765 ' HB3' HD12 ' A' ' 97' ' ' ILE . 18.1 Cg_endo -75.11 -177.06 3.22 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.299 1.684 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -139.5 -173.81 3.71 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.696 1.247 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -81.73 -15.61 53.8 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.534 1.146 . . . . 0.0 109.785 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 -46.62 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.135 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.52 174.28 0.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.513 1.133 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -128.43 -41.89 1.52 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.532 1.145 . . . . 0.0 110.115 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER 73.58 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -110.85 166.25 11.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.35 1.032 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.0 p -109.58 135.8 49.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.679 1.237 . . . . 0.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.74 -161.29 17.0 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 3.8 mttm -99.89 -17.28 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.331 0.665 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.416 ' CD2' HD23 ' A' ' 111' ' ' LEU . 0.8 OUTLIER -109.88 -6.19 15.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.81 -41.44 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.519 1.137 . . . . 0.0 109.043 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.8 -169.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.355 1.034 . . . . 0.0 109.28 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.12 -18.64 14.85 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.205 0.941 . . . . 0.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -100.17 26.82 6.11 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 124.316 1.01 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.905 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 49.28 24.09 4.73 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.648 1.218 . . . . 0.0 111.007 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.558 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 18.1 tttt -78.61 141.87 37.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.497 ' CG2' HD12 ' A' ' 111' ' ' LEU . 8.0 mm -89.42 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 108' ' ' LYS . 1.5 m-30 -98.06 44.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.063 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.497 HD12 ' CG2' ' A' ' 109' ' ' ILE . 43.9 mt -70.9 155.08 93.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.55 10.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.94 -57.93 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -35.86 79.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -64.96 -42.97 94.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.5 30.76 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CH2' ' HD2' ' A' ' 85' ' ' PRO . 3.8 t90 -81.7 117.09 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.33 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 76.05 161.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.65 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.555 ' HA ' ' CG ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.01 1.32 15.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.018 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.43 ' N ' ' HA ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -85.69 41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.446 ' HA ' ' NE1' ' A' ' 117' ' ' TRP . 63.1 p -93.34 114.0 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 122' ' ' SER . 0.0 OUTLIER 167.35 134.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.517 HD13 ' HG2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -62.73 -21.03 65.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 27' ' ' ASN . 4.9 mp -63.79 -54.4 35.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.69 -28.94 66.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.93 -74.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.459 ' H ' HD12 ' A' ' 128' ' ' ILE . 2.8 mp -48.7 -23.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -59.63 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -47.23 -50.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.51 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 53.8 mtt -54.67 -52.99 60.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.46 -32.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -90.75 -62.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.8 t -41.23 -45.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.748 ' HD2' HG21 ' A' ' 70' ' ' ILE . 19.9 m-85 -82.98 -32.74 26.87 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 124.504 1.128 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.82 -14.83 56.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.349 1.031 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -90.08 -43.61 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -169.96 160.6 6.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 117.01 4.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.566 1.824 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.24 0.38 9.08 Favored 'Trans proline' 0 C--N 1.356 0.962 0 O-C-N 124.528 1.804 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.33 122.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 66.2 t80 . . . . . 0 C--N 1.323 -0.554 0 O-C-N 124.713 1.258 . . . . 0.0 111.076 -179.902 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.236 0.394 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -42.87 82.09 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.624 1.203 . . . . 0.0 109.297 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' SER . 5.5 ttpt -54.13 -54.68 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.317 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -29.49 61.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.588 1.18 . . . . 0.0 109.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.83 61.08 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.148 0.905 . . . . 0.0 111.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 m -96.12 15.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 O-C-N 124.915 1.384 . . . . 0.0 109.44 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LYS . 29.3 t -77.2 -9.31 58.7 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.53 1.144 . . . . 0.0 109.879 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -89.18 -37.3 15.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.439 1.087 . . . . 0.0 108.998 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.4 ' CZ ' ' HG2' ' A' ' 53' ' ' MET . 1.9 m-85 -38.19 123.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 111.135 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.35 -45.91 83.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 14.3 m-85 -97.46 32.51 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.711 1.257 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -44.91 18.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 1.175 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -80.31 -47.55 14.35 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -59.74 -54.13 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.93 -41.7 80.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -61.13 -51.63 68.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 tp10 -62.2 -31.99 72.58 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.449 HG22 HD13 ' A' ' 29' ' ' ILE . 20.2 m -74.25 -57.92 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.543 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.14 -41.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.482 ' ND2' HD11 ' A' ' 125' ' ' LEU . 33.5 t-20 -73.43 -53.86 9.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.352 1.033 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 24' ' ' GLU . 20.3 t -45.77 -51.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.4 pt -68.99 -53.44 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.1 m -47.68 -42.96 26.04 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.597 1.186 . . . . 0.0 110.643 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -38.81 71.33 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CE2' HG21 ' A' ' 128' ' ' ILE . 58.4 m-85 -130.1 88.07 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -49.87 -37.92 33.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 124.517 1.136 . . . . 0.0 109.845 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.84 -47.64 42.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 109.229 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.25 127.96 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.382 1.051 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.4 mmtp -126.83 144.6 50.66 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.09 146.16 31.99 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.502 1.79 . . . . 0.0 110.938 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 39' ' ' LEU . 42.6 t -136.02 168.42 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.148 0.905 . . . . 0.0 109.152 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.538 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -131.22 112.27 12.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.688 1.243 . . . . 0.0 109.231 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -124.41 108.69 12.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -94.66 123.6 38.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 125.017 1.448 . . . . 0.0 110.023 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -99.81 148.54 24.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.646 1.216 . . . . 0.0 110.786 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m . . . . . 0 C--N 1.321 -0.631 0 O-C-N 124.349 1.031 . . . . 0.0 109.219 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 p . . . . . 0 CA--C 1.537 0.477 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HD2' HD21 ' A' ' 52' ' ' LEU . 10.1 ptt180 -106.43 128.22 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.923 1.389 . . . . 0.0 109.956 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HB2' HD11 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.88 103.05 6.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.82 1.325 . . . . 0.0 110.477 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.503 HD21 ' HD2' ' A' ' 50' ' ' ARG . 3.8 mm? -116.04 119.99 37.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.4 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 16.2 ptm -81.35 149.38 28.92 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.749 1.281 . . . . 0.0 111.017 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -134.47 141.66 46.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.4 mt -101.42 112.6 25.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -123.69 154.99 38.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.14 176.26 45.1 Favored Glycine 0 CA--C 1.532 1.132 0 O-C-N 124.419 1.075 . . . . 0.0 110.979 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -118.83 118.79 32.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.724 HG23 ' HD2' ' A' ' 60' ' ' PRO . 83.5 mt -89.83 142.5 29.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.699 1.25 . . . . 0.0 109.066 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 59' ' ' ILE . 17.7 Cg_endo -75.24 109.88 3.0 Favored 'Trans proline' 0 C--N 1.363 1.305 0 O-C-N 124.81 1.953 . . . . 0.0 111.027 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 61' ' ' VAL . 13.0 t -114.78 93.25 32.95 Favored Pre-proline 0 N--CA 1.453 -0.298 0 O-C-N 124.647 1.217 . . . . 0.0 109.116 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -75.49 153.49 39.52 Favored 'Trans proline' 0 C--N 1.363 1.296 0 O-C-N 124.634 1.86 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -155.61 113.31 3.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.21 35.85 18.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.353 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.95 2.25 84.13 Favored Glycine 0 CA--C 1.526 0.747 0 O-C-N 124.67 1.232 . . . . 0.0 111.148 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 11.9 m-20 -91.48 -178.34 5.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.073 0.513 . . . . 0.0 109.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.1 m -148.99 121.31 8.41 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.183 0.927 . . . . 0.0 110.439 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.69 161.45 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -117.17 84.91 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.498 HG21 ' HD2' ' A' ' 135' ' ' PHE . 4.3 mm -80.65 114.1 45.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 O-C-N 124.539 1.149 . . . . 0.0 109.395 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 151.92 40.14 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.509 1.794 . . . . 0.0 111.167 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.55 154.94 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.419 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.0 t -135.52 141.26 45.22 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.427 1.079 . . . . 0.0 108.256 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 140.66 47.52 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.988 1.43 . . . . 0.0 109.329 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 73.0 m95 -109.05 133.0 53.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 85' ' ' PRO . 1.5 mm? -111.74 171.53 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.984 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -148.66 169.06 21.23 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 124.494 1.121 . . . . 0.0 109.447 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.96 -37.63 29.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.424 ' HG1' ' HE2' ' A' ' 17' ' ' TYR . 1.7 t -176.08 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 31.9 m-85 -99.56 162.57 20.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.8 Cg_endo -74.89 -55.96 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.129 -2.446 . . . . 0.0 110.987 -0.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 96.1 m-85 -71.94 -71.24 0.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.753 1.283 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.984 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.8 OUTLIER 160.08 -50.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 124.413 1.07 . . . . 0.0 109.372 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 151.08 39.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.04 167.58 26.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -104.19 155.02 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.455 ' CB ' ' HB ' ' A' ' 109' ' ' ILE . 87.3 m -95.74 142.46 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -154.69 176.12 12.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 111.074 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.78 160.18 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.663 1.227 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 92.22 4.21 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 125.072 1.482 . . . . 0.0 109.197 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.756 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.35 174.65 12.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 O-C-N 124.316 1.693 . . . . 0.0 110.763 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -174.59 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.388 1.055 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -30.79 19.71 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.491 1.119 . . . . 0.0 110.124 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -54.06 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.945 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -79.78 -174.9 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.448 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -125.3 -160.97 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.427 1.079 . . . . 0.0 110.18 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.756 HD12 ' HG3' ' A' ' 91' ' ' PRO . 4.7 tt -127.67 145.13 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 140' ' ' PRO . 7.3 tttp -114.07 81.52 1.55 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.621 HG22 HG12 ' A' ' 103' ' ' VAL . 8.3 p -82.51 138.83 34.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.293 0.996 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.25 -89.55 0.09 OUTLIER Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.484 1.115 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -43.54 -72.89 0.05 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.435 ' O ' ' CE1' ' A' ' 110' ' ' TYR . 0.5 OUTLIER -120.24 -39.95 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.805 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.722 HG21 ' HB2' ' A' ' 140' ' ' PRO . 55.2 t -55.75 116.76 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.371 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -168.62 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.87 61.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.72 1.262 . . . . 0.0 109.259 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -108.61 22.36 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.609 1.193 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 50.89 33.77 28.93 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 8.8 tttt -90.77 143.12 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 0.835 . . . . 0.0 109.435 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.625 ' CG2' HD12 ' A' ' 111' ' ' LEU . 33.6 mm -102.1 99.3 8.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.899 1.374 . . . . 0.0 109.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 28.6 p90 -109.05 39.83 1.96 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.625 HD12 ' CG2' ' A' ' 109' ' ' ILE . 3.9 mt -42.86 155.09 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.07 10.31 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -47.26 70.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -55.81 -42.27 75.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -40.39 95.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.601 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -102.54 34.48 2.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.662 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 2.8 t90 -80.88 118.73 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.8 OUTLIER -121.66 76.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -41.41 162.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.528 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 1.94 15.39 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.059 -2.475 . . . . 0.0 111.033 0.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.3 mp0 -32.65 -63.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -92.94 172.67 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -178.51 169.36 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.74 -36.47 72.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.482 HD11 ' ND2' ' A' ' 27' ' ' ASN . 3.0 mp -61.31 -56.79 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.16 -33.93 88.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 130' ' ' VAL . 15.2 mt -55.01 -56.57 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.786 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.581 HG21 ' CE2' ' A' ' 32' ' ' TYR . 2.0 mp -68.49 -17.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -56.56 4.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 127' ' ' LEU . 1.8 p -51.14 -35.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.58 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 5.7 mtt -66.33 -54.78 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.418 HG13 HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -45.38 -32.27 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -87.34 -61.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 t -43.95 -48.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 131' ' ' MET . 4.6 m-85 -74.31 -34.06 63.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.87 -19.54 63.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.279 0.987 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.7 -50.82 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.386 0.698 . . . . 0.0 109.338 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.36 114.09 10.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.407 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 141' ' ' VAL . 17.8 Cg_endo -75.13 113.59 3.82 Favored 'Trans proline' 0 C--N 1.356 0.948 0 O-C-N 124.411 1.743 . . . . 0.0 111.058 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.722 ' HB2' HG21 ' A' ' 103' ' ' VAL . 17.9 Cg_endo -75.22 33.78 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.444 1.76 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 139' ' ' PRO . 25.0 t -108.77 -15.54 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.8 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 . . . . . 0 N--CA 1.451 -0.403 0 CA-C-O 120.471 0.177 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -61.69 -48.17 81.98 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.493 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -48.99 -56.82 7.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -33.69 34.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.147 0.905 . . . . 0.0 109.796 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.485 ' HE1' HD23 ' A' ' 39' ' ' LEU . 9.1 tmm? -75.96 -43.86 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 9' ' ' LYS . 35.5 m -88.02 13.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.525 1.14 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 31.2 t -62.4 -25.33 67.88 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 124.619 1.199 . . . . 0.0 109.876 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -27.36 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.871 1.357 . . . . 0.0 109.415 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.67 ' OH ' HD13 ' A' ' 52' ' ' LEU . 1.1 m-85 -45.16 122.29 3.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -57.16 13.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.438 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 35.3 m-85 -92.1 39.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.661 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.45 -29.97 69.36 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.372 1.045 . . . . 0.0 110.092 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 3.5 t70 -78.16 -40.41 37.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.527 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -34.94 71.63 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -76.4 -55.26 5.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 18' ' ' ARG . 42.9 t -52.41 -38.23 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 124.458 1.099 . . . . 0.0 109.515 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -68.29 -49.19 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.8 -41.48 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 29' ' ' ILE . 3.0 m -61.12 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -42.07 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.667 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.712 ' OD1' HD11 ' A' ' 125' ' ' LEU . 6.0 t-20 -64.95 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.353 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.442 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 69.1 t -39.56 -30.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 55' ' ' LEU . 5.4 mm -73.77 -53.97 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.3 m -66.0 -42.25 89.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.62 -31.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.282 0.989 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ILE . 1.7 m-85 -124.72 -179.6 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -144.32 78.33 1.57 Allowed 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.563 1.165 . . . . 0.0 109.029 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t0 178.44 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.576 1.172 . . . . 0.0 109.217 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.596 HD12 ' HA3' ' A' ' 57' ' ' GLY . 4.2 mp -63.99 127.76 32.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.7 mtpt -116.39 130.41 24.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 124.649 1.218 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.6 Cg_endo -75.1 137.33 21.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.648 1.867 . . . . 0.0 111.099 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 39' ' ' LEU . 44.0 t -123.71 168.93 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.124 0.89 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -149.49 109.89 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.534 ' N ' HD22 ' A' ' 39' ' ' LEU . 23.7 t70 -133.51 134.22 43.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -95.59 145.73 25.01 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.971 1.419 . . . . 0.0 109.861 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.49 133.06 56.39 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.648 1.217 . . . . 0.0 110.89 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 43' ' ' VAL . 2.5 p . . . . . 0 C--N 1.321 -0.649 0 O-C-N 124.839 1.337 . . . . 0.0 109.123 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.452 -0.375 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 139.32 46.24 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.701 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -81.98 122.32 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.828 1.33 . . . . 0.0 109.927 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 51' ' ' GLU . 4.5 mm? -128.87 134.12 48.18 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.456 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -74.78 169.6 17.56 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.181 0.926 . . . . 0.0 110.95 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.602 ' OD1' ' CE3' ' A' ' 75' ' ' TRP . 14.8 m-80 -157.77 146.1 19.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.681 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.9 mt -122.86 107.42 11.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.598 1.186 . . . . 0.0 109.42 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -116.96 145.76 43.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.348 1.03 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.596 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . 174.18 -170.18 43.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -132.16 137.24 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.334 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 60' ' ' PRO . 5.3 mp -105.49 141.84 23.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.346 1.029 . . . . 0.0 109.442 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.5 Cg_endo -74.59 123.23 7.93 Favored 'Trans proline' 0 C--N 1.358 1.041 0 O-C-N 124.277 1.672 . . . . 0.0 111.024 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 70' ' ' ILE . 2.1 t -117.72 106.18 46.52 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.53 90.41 1.13 Allowed 'Trans proline' 0 C--N 1.365 1.404 0 O-C-N 124.73 1.911 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 11.0 t80 -79.93 77.82 6.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 1.3 mmt85 84.56 -42.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -165.25 -35.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -81.39 149.04 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.446 0.733 . . . . 0.0 109.565 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.7 m -102.05 125.63 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.36 1.038 . . . . 0.0 110.609 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -100.85 159.05 15.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 1.182 . . . . 0.0 110.948 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -114.38 80.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.221 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 139' ' ' PRO . 12.1 mm -72.63 113.98 26.02 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.754 1.284 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 72' ' ' ILE . 18.6 Cg_endo -75.01 142.14 27.46 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.433 1.754 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.5 pp -154.92 159.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 38.5 t -144.74 152.56 40.56 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.475 1.109 . . . . 0.0 108.16 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -135.72 145.64 46.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.4 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.602 ' CE3' ' OD1' ' A' ' 54' ' ' ASN . 47.6 m95 -111.78 129.74 56.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.0 mm? -84.85 168.84 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.012 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -152.69 158.98 43.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.613 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.9 m-20 -89.26 -33.95 16.79 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.617 1.198 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.41 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.2 t -161.73 -42.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.523 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -75.65 160.01 80.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.087 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.9 Cg_endo -75.06 -47.02 0.33 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.88 -2.55 . . . . 0.0 110.93 0.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.405 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 84.7 t80 -106.54 -35.73 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.012 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER 164.09 -51.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.04 152.95 41.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.516 ' HB2' HD23 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -75.08 -175.68 2.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.09 149.88 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.46 ' SG ' HD11 ' A' ' 74' ' ' LEU . 95.1 m -122.75 129.16 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 1.5 p90 -158.99 147.78 18.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.63 HG22 ' HA3' ' A' ' 107' ' ' GLY . 12.1 m -75.43 165.32 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.384 1.052 . . . . 0.0 109.239 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 68.08 7.74 Favored Pre-proline 0 C--N 1.321 -0.635 0 O-C-N 124.612 1.195 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.532 ' HD3' HG23 ' A' ' 89' ' ' VAL . 18.5 Cg_endo -74.88 178.24 7.47 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.828 1.962 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.6 p -82.68 -169.7 2.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.932 1.395 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -44.34 16.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.02 -52.44 65.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.593 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.439 ' HG2' ' CG1' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -58.17 177.26 0.13 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.6 p -133.64 -165.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.351 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.59 114.72 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 124.401 1.063 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -91.77 93.03 8.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.542 1.152 . . . . 0.0 109.205 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 p -40.21 139.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.704 1.253 . . . . 0.0 110.411 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.797 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -140.95 -148.26 5.07 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.661 1.225 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -41.85 64.47 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.79 0.935 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -108.87 -50.12 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.797 HG23 ' N ' ' A' ' 100' ' ' GLY . 9.4 m -55.4 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.65 1.219 . . . . 0.0 109.363 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.16 -173.02 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.682 1.239 . . . . 0.0 109.437 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.5 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.945 1.403 . . . . 0.0 109.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -78.13 -27.41 48.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 124.674 1.233 . . . . 0.0 109.419 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.63 ' HA3' HG22 ' A' ' 89' ' ' VAL . . . 114.58 -8.83 22.06 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.09 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 1.9 ttpt -55.11 129.93 40.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.886 HD11 ' HE2' ' A' ' 131' ' ' MET . 15.1 pt -106.86 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.313 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 32.6 p90 -117.69 54.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 111' ' ' LEU . 1.2 mp -39.61 151.09 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -34.82 3.57 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -54.87 -51.74 64.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.754 HD11 ' HG ' ' A' ' 127' ' ' LEU . 3.2 mm? -44.72 -59.39 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -47.8 -40.21 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.55 28.28 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.45 ' NE1' ' O ' ' A' ' 119' ' ' HIS . 6.5 t90 -115.49 130.16 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.583 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -167.12 40.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.4 m-70 171.9 162.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.622 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.1 Cg_endo -75.03 -8.69 23.85 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -155.61 47.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 p -43.49 125.34 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -175.05 -178.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mt -48.29 -45.25 34.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.712 HD11 ' OD1' ' A' ' 27' ' ' ASN . 3.9 mm? -46.56 -66.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.34 -39.35 64.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.754 ' HG ' HD11 ' A' ' 114' ' ' LEU . 1.3 mt -53.18 -62.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.91 -32.0 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -54.37 -57.04 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -54.12 -40.71 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.886 ' HE2' HD11 ' A' ' 109' ' ' ILE . 15.3 mtt -66.34 -25.0 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.63 -33.99 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 134' ' ' VAL . 48.6 t -88.72 -60.07 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 135' ' ' PHE . 4.0 t -39.96 -49.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 131' ' ' MET . 13.7 m-30 -80.08 -32.58 39.25 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 124.456 1.097 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.92 -14.57 52.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.345 1.028 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.44 -46.89 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.03 148.96 2.14 Favored Pre-proline 0 C--N 1.322 -0.597 0 O-C-N 124.831 1.332 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.58 ' HB3' HD11 ' A' ' 70' ' ' ILE . 18.3 Cg_endo -74.97 113.28 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HB2' HG11 ' A' ' 103' ' ' VAL . 18.4 Cg_endo -74.96 -13.94 21.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.548 1.815 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.439 ' CG1' ' HG2' ' A' ' 95' ' ' MET . 2.6 t -63.48 -18.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.829 1.331 . . . . 0.0 109.184 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.254 0.971 . . . . 0.0 111.373 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 . . . . . 0 N--CA 1.446 -0.637 0 N-CA-C 110.551 -0.166 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 8.6 tp -59.0 -19.48 43.95 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.817 1.323 . . . . 0.0 109.463 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' SER . 1.2 tttt -81.1 -48.46 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.559 1.162 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -23.21 67.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.764 1.29 . . . . 0.0 109.217 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -42.99 18.21 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.079 0.862 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' LEU . 3.7 m -98.77 17.66 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.332 1.02 . . . . 0.0 109.53 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.27 -7.18 45.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.509 -179.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -37.69 11.45 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 125.087 1.492 . . . . 0.0 108.853 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -47.56 123.26 5.58 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 124.62 1.2 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -56.72 -64.11 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.116 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -85.26 43.42 1.01 Allowed 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.998 1.436 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 28.4 ptt180 -62.55 -39.8 94.79 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.456 1.098 . . . . 0.0 110.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.5 t70 -56.35 -37.21 69.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.331 1.02 . . . . 0.0 109.421 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.72 -41.08 46.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 7.1 m -65.01 -45.26 86.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.84 -37.65 79.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.58 1.175 . . . . 0.0 109.486 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -74.67 -46.01 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.4 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -67.2 -38.11 84.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 124.748 1.28 . . . . 0.0 110.384 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' THR . 5.0 m -64.38 -37.95 89.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.41 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -42.42 90.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.563 1.164 . . . . 0.0 109.174 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' VAL . 36.2 t-20 -69.6 -53.85 16.83 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 24' ' ' GLU . 35.6 t -40.78 -61.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' TYR . 1.9 pt -61.01 -56.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.196 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -42.8 -46.5 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.137 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 HD23 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -66.43 -45.84 78.52 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CE1' HD11 ' A' ' 132' ' ' ILE . 61.4 m-85 -128.03 114.31 16.92 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.603 1.189 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.78 61.24 6.34 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.606 1.191 . . . . 0.0 108.952 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 35' ' ' LEU . 21.4 p-10 -132.38 -51.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.682 1.239 . . . . 0.0 109.398 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 57' ' ' GLY . 3.4 mm? -67.62 117.33 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.643 1.214 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -97.78 136.64 21.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 19.6 Cg_endo -74.6 134.49 18.61 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.526 1.803 . . . . 0.0 111.336 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.75 159.35 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.32 105.86 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.599 1.187 . . . . 0.0 109.088 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' LEU . 19.5 t0 -129.67 127.83 41.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.8 p -102.02 149.29 24.39 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.725 1.265 . . . . 0.0 110.142 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -126.16 143.23 51.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.423 1.077 . . . . 0.0 110.911 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 C--N 1.319 -0.753 0 O-C-N 124.831 1.332 . . . . 0.0 109.06 -179.955 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p . . . . . 0 N--CA 1.455 -0.19 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.83 134.73 37.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.374 1.046 . . . . 0.0 110.449 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.529 ' C ' HD22 ' A' ' 52' ' ' LEU . 19.0 mt-10 -80.33 114.22 19.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.846 1.341 . . . . 0.0 110.122 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 76' ' ' LEU . 4.5 mm? -120.84 138.23 54.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.366 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 ttm -82.06 133.76 35.3 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -123.52 130.9 53.37 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 124.356 1.035 . . . . 0.0 109.271 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.569 HD12 HD21 ' A' ' 76' ' ' LEU . 21.3 mt -105.39 109.45 21.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.429 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -116.47 140.21 49.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.7 1.25 . . . . 0.0 110.444 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' HD13 ' A' ' 35' ' ' LEU . . . -167.23 -170.73 32.44 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -131.01 117.9 19.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 0.823 . . . . 0.0 110.187 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 60' ' ' PRO . 95.3 mt -93.74 142.04 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.446 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.9 Cg_endo -74.61 123.63 8.23 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.441 1.758 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 135' ' ' PHE . 2.8 t -119.59 97.82 49.97 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.83 94.97 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.552 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.3 t80 -96.54 90.8 5.49 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER 88.05 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.415 1.072 . . . . 0.0 110.274 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.34 -28.28 0.2 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.412 1.07 . . . . 0.0 111.104 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.7 p30 -75.59 148.49 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.824 . . . . 0.0 109.13 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.6 m -99.05 124.66 44.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.296 0.997 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.94 157.73 17.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.102 . . . . 0.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -114.82 75.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.327 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.708 HG21 ' HD2' ' A' ' 135' ' ' PHE . 15.4 mm -73.86 114.13 29.66 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.1 17.45 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.543 1.812 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -130.75 151.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.054 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.9 t -133.97 135.13 43.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 108.169 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 85' ' ' PRO . 1.7 tm? -123.83 125.64 45.03 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.342 1.026 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -96.87 123.88 40.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.618 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.7 mm? -93.37 174.13 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 1.02 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -148.69 174.78 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.573 ' OD2' ' CE2' ' A' ' 80' ' ' TYR . 13.1 p-10 -92.44 -38.11 12.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 8.9 t -176.76 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' OD2' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -101.06 162.29 21.02 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.8 Cg_endo -74.64 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.227 -2.406 . . . . 0.0 111.074 -0.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.457 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 72.1 m-85 -71.99 -69.99 0.36 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 1.02 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER 160.29 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 154.76 42.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.571 ' CB ' HD11 ' A' ' 74' ' ' LEU . 18.6 Cg_endo -74.91 166.01 30.16 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.402 ' O ' HD22 ' A' ' 74' ' ' LEU . 2.3 mp -104.4 127.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.496 ' HB3' ' HE2' ' A' ' 131' ' ' MET . 75.3 m -76.37 141.87 41.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -154.38 161.43 41.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 124.597 1.186 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.59 HG22 ' HA3' ' A' ' 107' ' ' GLY . 21.4 m -112.32 149.18 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.369 1.043 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -122.41 77.85 45.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD3' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 170.84 19.52 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.596 1.84 . . . . 0.0 110.961 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.6 p -116.01 -174.91 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.356 1.035 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.45 1.094 . . . . 0.0 109.871 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -51.76 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 176.71 1.26 Allowed 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.552 1.157 . . . . 0.0 111.227 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 142' ' ' PHE . 12.6 t -151.88 -155.82 0.65 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.526 1.141 . . . . 0.0 110.503 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.419 ' N ' ' OG1' ' A' ' 96' ' ' THR . 19.8 mt -138.95 130.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 108.975 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -95.3 80.72 3.56 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.7 p -39.02 135.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.203 0.94 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.72 -135.96 1.93 Allowed Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.701 1.251 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -71.03 0.54 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 124.969 1.041 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.796 ' CE1' HG23 ' A' ' 103' ' ' VAL . 10.8 p-80 -79.97 -23.55 41.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.796 HG23 ' CE1' ' A' ' 102' ' ' HIS . 70.2 t -87.16 81.24 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.639 1.212 . . . . 0.0 109.377 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.33 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.58 -45.5 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -75.55 -12.25 60.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.559 1.162 . . . . 0.0 109.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.59 ' HA3' HG22 ' A' ' 89' ' ' VAL . . . 96.47 22.08 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.095 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.4 tttt -76.13 104.9 6.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.469 ' HB ' ' CB ' ' A' ' 87' ' ' CYS . 21.6 mm -60.79 93.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.94 84.52 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 114' ' ' LEU . 28.4 mt -92.49 112.79 57.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.3 19.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.05 -39.08 72.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 114' ' ' LEU . 1.4 pp -91.13 -5.77 54.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -77.22 -42.06 38.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -99.98 23.92 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CE2' ' HB3' ' A' ' 122' ' ' SER . 6.4 t90 -129.49 -70.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.588 ' HD2' ' CD2' ' A' ' 119' ' ' HIS . 0.0 OUTLIER 30.8 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.625 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 59.8 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.625 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.913 0.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.28 -42.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -83.32 157.72 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.49 174.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.9 -46.82 2.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.437 1.086 . . . . 0.0 109.193 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 31' ' ' LEU . 2.5 mp -62.7 -53.52 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.19 -35.02 68.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 130' ' ' VAL . 35.9 mt -54.54 -72.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 128' ' ' ILE . 3.3 mp -49.97 -23.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.15 -58.38 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -50.04 -43.93 21.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.496 ' HE2' ' HB3' ' A' ' 87' ' ' CYS . 48.6 mtt -62.16 -52.27 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' A' ' 32' ' ' TYR . 1.9 mt -45.39 -32.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' VAL . 96.9 t -92.05 -63.41 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' VAL . 6.2 t -40.05 -43.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.708 ' HD2' HG21 ' A' ' 70' ' ' ILE . 7.9 m-85 -88.4 -30.52 19.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.3 -23.66 66.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.98 -51.13 6.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.767 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.77 152.97 21.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.289 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 63' ' ' TYR . 17.8 Cg_endo -75.34 122.57 7.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.65 1.868 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.7 -20.0 18.06 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.49 1.784 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.1 m -91.61 124.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.901 1.376 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 96' ' ' THR . 7.6 t80 . . . . . 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.91 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 110.267 -0.271 . . . . 0.0 110.267 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.78 ' O ' HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -48.61 -50.41 32.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.275 0.984 . . . . 0.0 109.292 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.4 tttp -51.24 -47.19 62.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -58.42 -23.43 57.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 39' ' ' LEU . 11.2 tmm? -87.96 -42.01 12.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.177 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 8' ' ' LEU . 1.1 m -69.74 -7.8 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -65.6 -15.28 62.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.715 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.21 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.471 ' CD1' ' OD2' ' A' ' 78' ' ' ASP . 1.5 m-85 -48.19 119.52 3.0 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.337 1.023 . . . . 0.0 111.044 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -47.12 23.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.52 ' CZ ' ' OG1' ' A' ' 79' ' ' THR . 10.2 m-85 -90.63 40.23 1.01 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.634 1.209 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.9 tmm_? -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.254 0.971 . . . . 0.0 110.085 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.95 -50.53 70.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.54 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' OE2' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -58.41 -52.84 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.235 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -57.34 -54.49 46.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.455 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' ARG . 44.4 t -55.49 -43.62 72.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.594 1.184 . . . . 0.0 109.143 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -65.61 -48.83 70.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.484 ' OE2' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -40.22 96.73 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.734 1.271 . . . . 0.0 110.288 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -62.82 -59.16 5.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -42.68 -44.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.839 1.337 . . . . 0.0 109.121 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.439 HD21 HD21 ' A' ' 125' ' ' LEU . 10.7 t-20 -69.93 -55.63 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.7 1.25 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.447 HG21 HD13 ' A' ' 124' ' ' LEU . 2.6 t -41.65 -57.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.284 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.2 pt -63.82 -56.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -43.27 -45.32 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -74.53 -45.54 45.06 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 124.703 1.252 . . . . 0.0 109.152 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 31' ' ' LEU . 84.7 m-85 -124.41 91.55 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -59.83 -47.34 86.12 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.63 1.206 . . . . 0.0 108.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -36.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.333 1.021 . . . . 0.0 109.08 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.68 131.03 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.044 . . . . 0.0 109.3 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.0 129.77 24.44 Favored Pre-proline 0 N--CA 1.449 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.614 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -74.39 136.77 22.24 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 O-C-N 124.216 1.64 . . . . 0.0 111.566 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.97 154.46 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.09 0.869 . . . . 0.0 109.224 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -130.1 115.99 17.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.138 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.848 ' N ' HD22 ' A' ' 39' ' ' LEU . 35.2 t70 -137.47 133.54 34.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.737 1.273 . . . . 0.0 109.372 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 13.4 p -82.36 123.65 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.76 1.287 . . . . 0.0 110.085 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -100.53 144.54 29.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.539 1.149 . . . . 0.0 111.204 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.448 -0.527 0 O-C-N 124.374 1.046 . . . . 0.0 109.723 179.837 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.2 p . . . . . 0 N--CA 1.457 -0.12 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -128.76 149.42 50.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.552 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.543 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -84.04 116.33 22.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.616 1.197 . . . . 0.0 110.468 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.543 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.1 mm? -126.95 134.96 50.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.85 1.344 . . . . 0.0 109.58 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.727 ' HB2' HD11 ' A' ' 8' ' ' LEU . 3.8 ppp? -80.28 137.3 36.6 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 124.027 0.829 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -125.22 121.07 33.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB2' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -91.91 116.61 29.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . 0.412 ' HG1' ' HG ' ' A' ' 73' ' ' CYS . 54.7 m -121.16 148.22 44.51 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -175.66 47.77 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 p -133.24 122.88 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 0.827 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.545 HG22 ' CG1' ' A' ' 61' ' ' VAL . 35.1 mt -89.25 115.79 64.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.095 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.44 94.76 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.667 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.545 ' CG1' HG22 ' A' ' 59' ' ' ILE . 5.0 m -111.34 146.46 34.64 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.745 1.278 . . . . 0.0 109.072 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.9 Cg_endo -74.61 123.94 8.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.609 1.847 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.663 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 16.0 t80 -93.55 -49.69 5.77 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.361 1.038 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.482 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -163.1 72.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 -15.14 33.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 11.7 m120 -117.25 177.81 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 0.0 109.206 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -104.14 132.67 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.663 ' CE1' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -109.43 156.93 19.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -111.26 100.13 8.82 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.346 1.029 . . . . 0.0 109.252 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 135' ' ' PHE . 8.9 mm -92.63 112.34 55.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 114.71 4.08 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.33 1.7 . . . . 0.0 110.741 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 59' ' ' ILE . 2.5 pp -124.36 140.58 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.416 1.073 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 50.4 t -149.99 138.85 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.227 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.622 ' O ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -140.36 159.59 41.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 124.331 1.019 . . . . 0.0 109.386 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 50.9 m95 -115.79 144.45 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 53' ' ' MET . 10.3 mp -110.7 -177.92 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.934 HD11 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -142.3 -172.81 3.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 79' ' ' THR . 1.2 m-20 -109.94 -23.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.52 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER 167.17 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.102 . . . . 0.0 110.419 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -149.77 164.62 20.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.583 1.177 . . . . 0.0 110.92 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.88 -58.38 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.947 -0.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.0 m-85 -71.29 98.15 1.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.84 1.337 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.934 ' O ' HD11 ' A' ' 77' ' ' LEU . 8.3 t-20 -50.38 -45.72 83.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.149 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.91 142.66 28.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.472 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -75.09 163.99 34.07 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 104.25 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.34 133.8 33.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 108.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -159.43 147.64 17.6 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.618 1.199 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.483 HG23 HD11 ' A' ' 97' ' ' ILE . 23.2 m -91.27 123.13 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.31 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -66.29 117.87 47.68 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.31 1.006 . . . . 0.0 109.184 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' A' ' 97' ' ' ILE . 17.9 Cg_endo -75.17 168.24 25.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.21 1.637 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 91' ' ' PRO . 2.2 p -151.61 177.99 9.78 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 124.95 1.406 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -80.88 -42.28 21.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.968 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -58.87 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.96 166.34 23.45 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.392 1.058 . . . . 0.0 110.69 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER -113.1 -15.81 12.73 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.491 1.119 . . . . 0.0 110.496 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 0.1 OUTLIER 58.27 111.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.091 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.24 156.26 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 28.0 p -89.39 158.17 17.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.333 1.02 . . . . 0.0 110.558 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.866 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -156.97 -151.68 6.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.681 1.238 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -32.8 63.52 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.339 0.67 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.545 ' CD2' HD21 ' A' ' 111' ' ' LEU . 2.7 p80 -118.35 -44.96 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.554 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.909 HG11 ' CB ' ' A' ' 140' ' ' PRO . 6.4 m -60.03 101.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 109.083 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.8 -172.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.514 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.64 63.54 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.814 1.321 . . . . 0.0 109.463 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -95.89 -23.71 16.76 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.627 1.204 . . . . 0.0 109.195 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 89' ' ' VAL . . . 115.4 -12.83 18.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.641 1.213 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -52.92 113.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.68 0.871 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.49 107.16 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.143 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -103.62 42.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 102' ' ' HIS . 4.0 mt -44.18 157.21 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.87 20.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.33 -52.53 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.03 -39.04 93.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -58.58 -51.58 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.99 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.655 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 5.5 t90 -80.81 99.57 8.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.599 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -130.22 5.74 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.599 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.11 164.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.584 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -30.81 5.74 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.03 -0.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.492 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -29.98 -61.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 4.8 m -80.84 162.26 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 177.77 169.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -65.72 -39.56 91.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 27' ' ' ASN . 6.8 mp -59.63 -57.97 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.78 -34.45 70.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.655 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 1.4 mp -59.18 -41.48 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -37.56 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 132' ' ' ILE . 1.4 tt0 -58.91 -54.99 40.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.207 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 1.0 OUTLIER -44.99 -47.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.556 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 24.7 mtt -57.0 -51.0 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 129' ' ' GLN . 1.5 tt -45.47 -32.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . 0.478 HG23 HG22 ' A' ' 132' ' ' ILE . 53.0 t -92.26 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.1 t -42.49 -42.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 70' ' ' ILE . 8.2 m-85 -90.07 -29.16 18.54 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.442 1.089 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.27 72.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.393 1.058 . . . . 0.0 111.007 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -26.59 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.73 119.48 0.2 Allowed Pre-proline 0 N--CA 1.45 -0.458 0 O-C-N 124.295 0.997 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 19.1 Cg_endo -74.73 146.32 33.71 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.707 1.898 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.909 ' CB ' HG11 ' A' ' 103' ' ' VAL . 18.2 Cg_endo -74.93 -30.11 7.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.9 m -74.72 125.33 34.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 125.123 1.514 . . . . 0.0 109.22 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.553 ' C ' ' CD1' ' A' ' 142' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.537 0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.844 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 11' ' ' MET . 3.4 tt0 . . . . . 0 N--CA 1.456 -0.166 0 N-CA-C 110.188 -0.301 . . . . 0.0 110.188 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -38.14 17.67 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.654 1.221 . . . . 0.0 109.098 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -65.14 -58.5 5.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.8 -20.53 61.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 124.396 1.06 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -76.92 -43.08 36.85 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.742 1.276 . . . . 0.0 111.087 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -106.83 19.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 124.718 1.261 . . . . 0.0 109.349 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.5 m -75.2 -19.57 59.74 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.637 1.211 . . . . 0.0 109.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -82.23 -39.95 22.32 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 124.949 1.406 . . . . 0.0 109.459 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 5.2 m-85 -40.71 132.39 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -50.21 51.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.05 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -94.49 38.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -51.27 -63.3 1.17 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.379 1.05 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.01 -33.79 8.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -49.26 27.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.395 1.06 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -54.98 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.4 t -51.79 -45.38 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -55.71 -53.46 56.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 124' ' ' LEU . 1.2 mp0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.869 1.356 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' HG12 ' A' ' 29' ' ' ILE . 18.5 m -67.86 -52.13 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.54 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -57.59 -36.26 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' CG ' HD11 ' A' ' 125' ' ' LEU . 57.1 t-20 -76.18 -51.99 11.0 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.686 1.241 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.424 HG11 HD13 ' A' ' 55' ' ' LEU . 2.3 t -48.24 -43.58 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 26' ' ' VAL . 3.5 pt -76.67 -53.29 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.221 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.6 m -49.5 -40.8 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.47 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.674 HD13 HD12 ' A' ' 125' ' ' LEU . 5.5 tt -64.2 -40.31 95.81 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.78 1.3 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -98.25 -172.11 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 32' ' ' TYR . 52.2 mmtt -146.75 55.34 1.12 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.646 1.216 . . . . 0.0 109.462 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -172.81 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.249 0.968 . . . . 0.0 109.47 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.635 HD23 ' CD2' ' A' ' 32' ' ' TYR . 3.6 mm? -62.44 117.64 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.49 145.09 39.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.83 138.67 23.78 Favored 'Trans proline' 0 C--N 1.363 1.31 0 O-C-N 124.34 1.705 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 39' ' ' LEU . 12.4 t -137.82 164.4 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 51' ' ' GLU . 1.6 tm? -129.82 128.89 43.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 0.0 109.219 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.29 121.52 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.697 1.248 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.26 148.41 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 110.277 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -118.37 125.64 50.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t . . . . . 0 N--CA 1.449 -0.486 0 O-C-N 124.292 0.995 . . . . 0.0 109.257 179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.537 0.447 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.36 133.28 38.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.844 1.34 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.677 ' C ' HD22 ' A' ' 52' ' ' LEU . 3.0 pt-20 -86.45 120.02 27.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 110.744 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.677 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.6 mm? -129.48 125.17 35.77 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.189 0.931 . . . . 0.0 109.427 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 148.07 52.39 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 125.063 1.477 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -141.47 137.21 31.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.424 HD13 HG11 ' A' ' 28' ' ' VAL . 15.2 mt -96.62 113.27 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.453 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -119.66 130.16 54.92 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.942 1.402 . . . . 0.0 110.187 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.676 ' O ' HD13 ' A' ' 72' ' ' ILE . . . 178.31 175.44 45.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.4 p -120.38 159.26 25.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.61 145.91 57.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.216 . . . . 0.0 109.027 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.57 119.49 5.76 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.363 1.717 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.74 113.53 33.16 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 124.486 1.116 . . . . 0.0 109.453 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -75.04 108.95 2.84 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.645 1.866 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 t80 -104.65 78.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 85.62 -15.75 0.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.67 -25.32 0.74 Allowed Glycine 0 CA--C 1.527 0.783 0 O-C-N 124.493 1.121 . . . . 0.0 111.172 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -81.02 153.38 27.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.34 0.671 . . . . 0.0 109.356 -179.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.8 m -103.26 125.07 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.72 158.25 18.29 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.674 1.234 . . . . 0.0 110.97 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -112.6 76.14 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.394 1.059 . . . . 0.0 109.354 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 139' ' ' PRO . 48.4 mm -66.42 112.99 10.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.71 24.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -143.56 141.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.349 1.031 . . . . 0.0 109.429 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 9.4 t -126.75 145.66 50.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 108.4 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.0 156.71 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.639 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 69.6 m95 -122.24 134.09 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.2 mm? -103.96 167.67 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.998 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -147.24 169.86 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.159 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.53 -36.94 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -166.66 -42.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.485 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -92.18 166.02 18.43 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.55 1.156 . . . . 0.0 111.167 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -75.07 -43.64 0.66 Allowed 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.799 -0.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.27 -63.28 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.59 1.181 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.998 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER 164.39 -51.49 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.285 0.99 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 151.43 39.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.461 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.99 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.34 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 131' ' ' MET . 59.7 m -116.33 129.73 56.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 4.3 p90 -151.55 141.71 22.26 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 97' ' ' ILE . 10.6 m -67.68 176.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.371 1.044 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' CE ' ' HD2' ' A' ' 91' ' ' PRO . 6.5 tptm -139.76 135.73 16.91 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.61 1.194 . . . . 0.0 109.194 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.463 ' HD2' ' CE ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.23 164.31 33.18 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.597 1.84 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -116.86 -151.93 0.49 Allowed 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.94 -56.09 2.3 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.854 1.346 . . . . 0.0 110.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -42.98 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.688 1.242 . . . . 0.0 109.953 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.57 171.29 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.919 HG22 ' O ' ' A' ' 142' ' ' PHE . 13.2 t -119.89 -160.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.569 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 97' ' ' ILE . 2.2 tt -135.4 61.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.272 0.983 . . . . 0.0 109.29 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' HG11 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -39.72 135.5 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.168 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 105' ' ' ALA . 1.2 p -102.49 147.6 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.799 1.312 . . . . 0.0 110.494 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.27 -118.12 0.75 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.711 1.257 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -70.17 0.74 Allowed 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 124.413 0.714 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.97 ' CE1' HG23 ' A' ' 103' ' ' VAL . 11.1 p-80 -73.27 -30.63 63.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.97 HG23 ' CE1' ' A' ' 102' ' ' HIS . 59.8 t -84.92 78.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.407 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.876 1.36 . . . . 0.0 109.415 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 99' ' ' THR . . . -71.73 -34.4 69.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 109.124 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -89.17 14.84 9.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 124.509 1.13 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.628 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 60.46 20.77 56.22 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 124.652 1.22 . . . . 0.0 110.968 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -73.6 133.76 43.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.779 0.929 . . . . 0.0 109.309 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 111' ' ' LEU . 22.1 mm -70.75 95.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.78 31.95 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 109' ' ' ILE . 14.4 mt -44.83 156.29 0.36 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -46.03 -55.23 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.03 -54.64 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -51.36 -52.63 43.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.631 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.53 26.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.511 ' CZ2' ' N ' ' A' ' 122' ' ' SER . 11.9 t90 -131.74 130.23 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.615 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -153.4 74.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.72 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 61.1 170.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.596 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.72 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.8 Cg_endo -74.92 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.075 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.538 ' C ' ' O ' ' A' ' 120' ' ' PRO . 3.5 mt-30 -26.67 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.511 ' N ' ' CZ2' ' A' ' 117' ' ' TRP . 51.6 p -42.96 130.83 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.2 m-20 -178.92 170.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 124' ' ' LEU . 1.8 mm? -56.8 -63.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.674 HD12 HD13 ' A' ' 31' ' ' LEU . 2.6 mm? -49.62 -52.45 30.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.76 -28.58 68.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 123' ' ' ASP . 4.8 mt -71.11 -37.52 72.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 132' ' ' ILE . 15.5 mm -75.61 -18.25 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -54.24 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.8 OUTLIER -55.06 -48.23 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.549 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 8.5 mtt -60.3 -40.92 92.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 128' ' ' ILE . 7.2 mt -58.32 -31.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.49 -60.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . 0.526 HG12 ' CD1' ' A' ' 135' ' ' PHE . 3.4 t -42.74 -47.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 131' ' ' MET . 13.2 m-30 -83.96 -28.56 27.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.34 76.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.338 1.023 . . . . 0.0 110.985 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -43.82 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -177.96 138.53 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.565 0 O-C-N 124.351 1.032 . . . . 0.0 110.364 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 20.3 Cg_endo -74.55 151.6 42.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.595 ' HB3' HG21 ' A' ' 103' ' ' VAL . 18.4 Cg_endo -75.22 -32.04 5.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.381 1.727 . . . . 0.0 111.06 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 97' ' ' ILE . 24.9 m -74.48 123.24 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 O-C-N 124.537 1.148 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.919 ' O ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.451 -0.413 0 O-C-N 124.288 0.993 . . . . 0.0 110.874 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.45 -0.459 0 N-CA-C 110.509 -0.182 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.3 -51.39 34.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.74 1.275 . . . . 0.0 109.045 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 12' ' ' VAL . 6.5 ttpt -54.3 -45.92 72.65 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.521 1.138 . . . . 0.0 109.155 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -21.8 64.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.955 1.41 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -37.05 13.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.655 1.222 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 9' ' ' LYS . 17.4 m -99.57 19.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.458 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.831 1.332 . . . . 0.0 109.793 -179.845 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -100.61 -19.45 16.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.867 1.354 . . . . 0.0 109.043 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -61.11 133.6 56.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 111.225 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.67 -37.38 73.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 25.4 m-85 -104.22 25.7 9.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -42.08 -66.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.777 1.298 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.6 -31.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -78.12 -50.5 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -60.42 -48.03 83.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.69 -44.67 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.99 -52.34 63.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.806 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -62.14 -37.31 84.69 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.363 1.039 . . . . 0.0 110.377 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 m -70.01 -37.34 75.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.406 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.58 -40.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.347 1.029 . . . . 0.0 109.181 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 3.0 t-20 -72.75 -48.78 35.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.375 1.047 . . . . 0.0 109.255 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 24' ' ' GLU . 24.3 t -47.21 -55.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.77 1.294 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.5 pt -65.43 -52.57 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -47.33 -42.82 22.12 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.755 1.285 . . . . 0.0 110.438 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -40.41 72.92 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.564 1.165 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.706 ' OH ' HD11 ' A' ' 132' ' ' ILE . 11.4 m-85 -129.07 109.13 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 111.25 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -83.0 58.27 4.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.81 -48.01 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.236 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.5 125.9 27.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 124.633 1.208 . . . . 0.0 109.262 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 144.46 29.93 Favored Pre-proline 0 N--CA 1.447 -0.594 0 O-C-N 124.529 1.143 . . . . 0.0 109.763 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.69 141.85 28.15 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 O-C-N 124.302 1.685 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 39' ' ' LEU . 45.2 t -130.7 168.12 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.728 1.267 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -140.63 120.94 13.95 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.316 1.01 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.72 115.47 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.943 1.402 . . . . 0.0 109.674 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.6 p -85.56 129.38 34.83 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 124.722 1.264 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -108.6 123.94 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 N--CA 1.45 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.412 -179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p . . . . . 0 CA--C 1.519 -0.22 0 CA-C-O 121.12 0.486 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.734 ' HE ' HD21 ' A' ' 52' ' ' LEU . 5.0 ttp180 -99.78 144.39 28.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.072 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 13.4 mt-10 -95.79 118.35 32.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.306 1.004 . . . . 0.0 110.301 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.734 HD21 ' HE ' ' A' ' 50' ' ' ARG . 4.2 mm? -124.62 135.43 53.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.421 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -99.79 138.76 36.43 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 124.799 1.312 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -123.89 146.1 48.66 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mt -107.04 115.41 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.456 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.3 m -118.14 139.3 51.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.439 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -176.99 172.22 45.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 71' ' ' PRO . 3.1 p -123.93 133.85 53.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.165 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 38.8 pt -106.89 141.37 22.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.8 Cg_endo -74.78 98.56 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.374 1.723 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.67 126.44 28.11 Favored Pre-proline 0 C--N 1.32 -0.714 0 O-C-N 124.313 1.008 . . . . 0.0 109.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.74 147.75 35.58 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.437 1.757 . . . . 0.0 111.079 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -105.14 -55.33 2.34 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 124.769 1.293 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 32.65 0.18 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.415 1.072 . . . . 0.0 110.293 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 132.26 -22.61 4.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -107.59 158.08 17.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.388 0.699 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -99.21 132.12 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.359 1.037 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -115.34 169.53 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 110.924 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -116.65 93.33 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.645 1.215 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.702 HG21 ' HD2' ' A' ' 135' ' ' PHE . 9.4 mm -82.41 114.44 51.45 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.384 1.052 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.3 Cg_endo -74.94 128.5 11.59 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -127.29 146.88 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.1 t -125.01 143.78 50.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.564 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mt -130.9 136.95 49.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.352 1.032 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 51.0 m95 -111.31 139.44 46.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.4 mm? -121.08 166.87 13.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.34 176.51 8.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.473 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.7 OUTLIER -81.99 -32.21 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.815 1.322 . . . . 0.0 109.429 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 174.1 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.503 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -119.36 159.95 43.52 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 124.433 1.083 . . . . 0.0 111.038 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 19.6 Cg_endo -75.19 -52.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.885 0.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.421 ' C ' ' HD2' ' A' ' 84' ' ' PRO . 2.9 m-85 -80.11 115.64 19.79 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.496 1.122 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.5 m120 -52.83 -45.09 97.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -74.97 155.97 43.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.557 ' HB3' HD13 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -74.99 158.38 42.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.422 1.748 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.648 HG23 ' HE3' ' A' ' 108' ' ' LYS . 1.3 mt -96.21 125.01 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.488 ' HB3' HD11 ' A' ' 109' ' ' ILE . 94.3 m -66.28 148.72 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.494 ' N ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER -160.94 159.37 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.528 1.142 . . . . 0.0 111.057 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 107' ' ' GLY . 34.1 m -123.63 154.86 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 O-C-N 124.561 1.163 . . . . 0.0 109.386 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -134.72 64.08 61.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.34 1.025 . . . . 0.0 109.383 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . 0.45 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.6 Cg_endo -74.98 -176.2 2.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.596 1.84 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.1 p -105.9 -175.2 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.801 1.313 . . . . 0.0 110.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -22.25 22.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.41 -7.48 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 142' ' ' PHE . 58.6 ttm -92.52 -32.95 14.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 124.778 1.299 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 97' ' ' ILE . 73.1 m 66.86 172.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.237 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -138.21 105.04 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.709 1.256 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 142' ' ' PHE . 2.2 mmtt -72.72 86.49 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.149 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 104' ' ' ASP . 6.0 p -44.11 138.95 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.447 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.91 -150.21 5.41 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 125.013 1.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -70.33 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.669 ' CE1' HG23 ' A' ' 103' ' ' VAL . 9.9 p80 -76.75 -51.28 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.669 HG23 ' CE1' ' A' ' 102' ' ' HIS . 87.7 t -55.08 90.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.345 1.028 . . . . 0.0 109.207 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' HIS . 2.7 t0 -65.37 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.468 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.32 -15.88 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.217 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -110.67 5.55 21.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.359 1.037 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.962 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 71.42 41.1 59.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.632 1.208 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . 0.648 ' HE3' HG23 ' A' ' 86' ' ' ILE . 1.4 tttp -104.77 57.95 0.7 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.425 0.721 . . . . 0.0 109.158 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -39.61 106.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 O-C-N 124.297 0.998 . . . . 0.0 109.074 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 41.9 p90 -113.55 59.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 111' ' ' LEU . 3.9 mp -47.65 153.41 1.07 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.64 21.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -46.91 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.19 -31.96 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.69 -37.89 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.3 29.08 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.703 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 7.3 t90 -80.77 117.52 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -125.43 70.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.224 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.528 ' HA ' ' C ' ' A' ' 120' ' ' PRO . 25.1 p-80 -35.07 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.91 2.77 14.38 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.042 -0.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.0 mp0 -30.06 -69.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.703 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -93.11 -177.14 4.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -172.63 164.17 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.75 HD23 ' HG2' ' A' ' 24' ' ' GLU . 1.7 mm? -55.34 -50.7 68.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 125' ' ' LEU . 7.4 mp -55.18 -54.54 42.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.36 -37.69 88.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -69.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 0.811 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.15 -22.64 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -61.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -44.93 -49.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.503 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 61.8 mtt -51.04 -57.45 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.706 HD11 ' OH ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -45.79 -28.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.8 t -90.23 -62.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 37.6 t -45.61 -40.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.702 ' HD2' HG21 ' A' ' 70' ' ' ILE . 6.2 m-85 -84.58 -33.31 23.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.519 1.137 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.62 -21.05 66.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.72 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.86 157.16 5.11 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.702 1.252 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.83 113.98 3.92 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.508 1.794 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.73 35.69 0.41 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.553 1.817 . . . . 0.0 111.258 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -132.85 -56.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.561 0 O-C-N 124.223 0.952 . . . . 0.0 110.854 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.2 tp60 . . . . . 0 N--CA 1.451 -0.391 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.682 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -43.15 -56.55 3.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.207 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -60.03 -35.39 75.0 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.574 1.171 . . . . 0.0 109.177 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -65.2 -44.73 87.41 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.457 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -64.47 -44.31 91.44 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 124.258 0.974 . . . . 0.0 111.167 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 8' ' ' LEU . 27.4 m -83.32 1.02 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.626 1.204 . . . . 0.0 109.73 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -62.74 -21.58 65.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -101.08 -28.11 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 124.324 1.015 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -53.34 117.41 3.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -68.38 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.517 1.135 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -81.79 49.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.78 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.89 -60.26 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.133 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' ARG . 31.4 t70 -38.85 -39.02 0.48 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.22 14.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.597 HG23 ' CD2' ' A' ' 76' ' ' LEU . 41.5 m -55.46 -55.03 36.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.541 ' CG2' HG21 ' A' ' 12' ' ' VAL . 7.0 t -53.0 -42.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 124.641 1.213 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -67.51 -47.92 68.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.382 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.439 ' OE1' HD13 ' A' ' 124' ' ' LEU . 11.7 mt-10 -60.48 -46.09 91.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -61.43 -32.2 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -71.15 -41.98 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 124.648 1.217 . . . . 0.0 109.408 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.637 ' ND2' HD21 ' A' ' 125' ' ' LEU . 16.1 t-20 -68.17 -51.94 40.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.657 HG21 HD23 ' A' ' 124' ' ' LEU . 12.0 t -44.54 -59.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 124.624 1.202 . . . . 0.0 109.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -62.86 -56.91 14.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 14.0 m -43.11 -45.64 5.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.494 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -46.09 71.95 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.756 1.285 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.96 115.73 16.9 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.1 54.62 3.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.908 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.14 -45.81 1.12 Allowed 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.564 1.165 . . . . 0.0 109.193 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.15 110.08 1.73 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.62 116.92 66.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.143 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.85 134.11 17.66 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 39' ' ' LEU . 22.6 t -132.36 169.12 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.516 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -137.5 106.49 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.95 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -121.75 135.79 54.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.832 1.332 . . . . 0.0 109.308 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -96.67 137.84 35.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.77 1.294 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.15 147.54 50.82 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.245 0.965 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.9 m . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.704 1.253 . . . . 0.0 109.074 -179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.5 p . . . . . 0 N--CA 1.451 -0.376 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -152.22 159.92 43.47 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.658 1.224 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.944 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -113.25 122.87 48.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.297 0.998 . . . . 0.0 110.254 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.944 HD22 ' C ' ' A' ' 51' ' ' GLU . 2.6 mm? -131.29 148.64 52.7 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.837 1.335 . . . . 0.0 109.337 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 ttp -92.94 137.16 32.61 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.722 1.264 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 2.2 p-10 -122.87 118.48 28.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 37' ' ' PRO . 17.8 mt -88.88 103.19 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 m -109.74 111.18 22.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.505 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.62 -175.33 21.8 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 71' ' ' PRO . 7.5 p -137.4 121.94 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.665 0.862 . . . . 0.0 110.277 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 60' ' ' PRO . 49.6 mt -88.82 142.37 30.52 Favored Pre-proline 0 N--CA 1.449 -0.479 0 O-C-N 124.637 1.211 . . . . 0.0 109.519 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.7 Cg_endo -74.44 118.44 5.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.508 1.794 . . . . 0.0 111.293 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 68' ' ' TYR . 25.5 t -144.86 101.92 4.54 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -75.05 147.7 34.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -95.39 -38.91 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.592 1.183 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.18 -76.65 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.0 4.8 9.04 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.645 1.215 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -127.16 146.41 50.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 0.724 . . . . 0.0 109.422 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.0 m -89.13 129.89 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.693 1.246 . . . . 0.0 110.282 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.458 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.3 t80 -100.49 162.75 12.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.667 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -115.04 86.33 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.712 HG21 ' HD2' ' A' ' 135' ' ' PHE . 18.1 mm -73.11 114.05 27.52 Favored Pre-proline 0 C--N 1.321 -0.634 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.0 Cg_endo -75.11 136.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.42 1.747 . . . . 0.0 110.861 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.07 148.07 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.112 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 42.2 t -128.14 148.61 50.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 108.453 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -134.79 127.15 30.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.166 0.916 . . . . 0.0 109.392 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TRP . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 67.0 m95 -100.19 144.66 28.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 52' ' ' LEU . 1.4 mp -119.77 163.32 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.981 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -137.9 176.95 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.083 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -94.84 -28.23 15.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.449 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.524 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.4 m-85 -97.57 168.14 10.63 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.88 -35.34 2.95 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.107 -0.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' TYR . . . . . 0.422 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 38.7 m-85 -97.22 -65.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASN . . . . . 0.981 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.4 m-20 162.19 -50.89 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.588 1.18 . . . . 0.0 109.1 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.07 151.35 39.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.98 170.78 19.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -104.17 156.66 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' CYS . . . . . 0.576 ' HB3' ' HE1' ' A' ' 131' ' ' MET . 60.9 m -128.76 134.77 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 2.5 p90 -164.28 147.27 9.22 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 124.637 1.211 . . . . 0.0 111.047 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 97' ' ' ILE . 7.6 p -73.55 159.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.29 0.994 . . . . 0.0 109.238 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.95 97.5 50.76 Favored Pre-proline 0 N--CA 1.447 -0.603 0 O-C-N 124.308 1.005 . . . . 0.0 109.249 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.57 149.27 38.6 Favored 'Trans proline' 0 C--N 1.357 0.978 0 O-C-N 124.798 1.946 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.3 p -115.96 -142.25 0.38 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.318 1.011 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 m -100.32 -45.23 5.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -38.15 58.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.605 1.19 . . . . 0.0 109.741 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -176.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 124.619 1.2 . . . . 0.0 110.706 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.612 HG23 ' O ' ' A' ' 142' ' ' PHE . 10.9 t -147.42 -154.4 0.55 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 124.603 1.189 . . . . 0.0 110.161 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -165.53 117.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.716 1.26 . . . . 0.0 109.208 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 89.4 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.4 p -44.42 135.62 4.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.433 1.083 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.91 -137.81 2.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.639 1.212 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -71.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.552 0.795 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' HIS . . . . . 0.68 ' CE1' HG23 ' A' ' 103' ' ' VAL . 18.9 p-80 -74.46 -20.12 60.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.68 HG23 ' CE1' ' A' ' 102' ' ' HIS . 40.7 t -98.32 70.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 124.658 1.224 . . . . 0.0 109.451 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -53.1 -177.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.652 1.22 . . . . 0.0 109.324 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.92 62.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.723 1.264 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -104.59 17.19 24.6 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLY . . . . . 0.482 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 56.46 19.57 26.81 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.65 125.7 29.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 109' ' ' ILE . 27.1 mm -60.98 102.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 124.636 1.21 . . . . 0.0 109.342 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 34.19 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.6 mt -46.36 151.53 0.97 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -42.76 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -61.09 -43.12 99.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -51.38 -45.03 62.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' HIS . . . . . 0.55 ' N ' HD23 ' A' ' 114' ' ' LEU . 48.7 t60 -58.09 -54.88 42.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.99 33.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' TRP . . . . . 0.795 ' HE1' ' N ' ' A' ' 122' ' ' SER . 6.0 t90 -131.1 119.44 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.046 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 164.3 25.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' HIS . . . . . 0.726 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -61.46 171.13 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.544 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' PRO . . . . . 0.726 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.06 -16.56 21.15 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.4 mp0 -37.55 -52.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.795 ' N ' ' HE1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER -59.74 139.19 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 122' ' ' SER . 51.1 m-20 -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.657 HD23 HG21 ' A' ' 28' ' ' VAL . 6.0 mp -55.87 -62.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.637 HD21 ' ND2' ' A' ' 27' ' ' ASN . 3.4 mp -50.29 -55.59 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.14 -42.73 82.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 129' ' ' GLN . 1.7 mt -62.23 -66.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' LEU . 44.6 mm -39.73 -29.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 127' ' ' LEU . 8.5 tt0 -61.49 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -43.52 -50.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' MET . . . . . 0.576 ' HE1' ' HB3' ' A' ' 87' ' ' CYS . 18.9 mtt -58.66 -53.07 62.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.7 mt -45.25 -31.2 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -92.36 -63.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 t -41.86 -44.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' PHE . . . . . 0.712 ' HD2' HG21 ' A' ' 70' ' ' ILE . 9.6 m-85 -86.81 -31.53 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.5 -29.11 68.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.388 1.055 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.56 -35.05 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.82 157.55 1.17 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.38 119.47 5.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.415 1.745 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' PRO . . . . . 0.542 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 18.9 Cg_endo -74.61 0.8 8.24 Favored 'Trans proline' 0 C--N 1.364 1.349 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' VAL . . . . . 0.505 HG22 HG21 ' A' ' 89' ' ' VAL . 93.7 t -87.94 -101.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 96' ' ' THR . 2.4 t80 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.276 0.985 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.525 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.735 HG22 ' HB3' ' A' ' 7' ' ' GLN . 3.2 p -164.52 34.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 114.792 -1.094 . . . . 0.0 109.416 179.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.462 ' O ' ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER 48.69 177.9 0.01 OUTLIER 'General case' 0 C--N 1.319 -0.744 0 O-C-N 125.196 1.56 . . . . 0.0 110.015 179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -92.46 -23.17 19.23 Favored 'General case' 0 N--CA 1.449 -0.489 0 O-C-N 124.406 1.066 . . . . 0.0 110.49 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.52 -36.63 32.92 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.438 1.086 . . . . 0.0 109.549 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.735 ' HB3' HG22 ' A' ' 3' ' ' VAL . 0.3 OUTLIER -83.85 -34.15 24.69 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.839 1.337 . . . . 0.0 110.291 -179.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.553 ' HB2' HG13 ' A' ' 3' ' ' VAL . 32.1 tp -62.09 -48.38 80.44 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.767 1.292 . . . . 0.0 109.294 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.638 ' HA ' HG22 ' A' ' 12' ' ' VAL . 63.1 mttt -65.58 -42.34 91.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.4 mttm -55.57 -26.33 42.96 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 114.966 -1.016 . . . . 0.0 109.515 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.64 ' CE ' HG21 ' A' ' 3' ' ' VAL . 0.0 OUTLIER -82.85 -32.86 27.28 Favored 'General case' 0 C--O 1.235 0.33 0 O-C-N 124.55 1.156 . . . . 0.0 110.812 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.831 HG23 ' HG3' ' A' ' 18' ' ' ARG . 15.5 m -105.28 20.0 4.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.261 0.976 . . . . 0.0 108.895 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 t -74.34 -19.32 60.5 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.914 1.384 . . . . 0.0 110.31 179.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.83 -34.48 33.84 Favored 'General case' 0 N--CA 1.444 -0.741 0 O-C-N 124.298 0.999 . . . . 0.0 109.171 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -55.83 145.98 23.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.409 1.068 . . . . 0.0 111.101 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -46.01 12.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.085 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.484 ' CE2' ' HA ' ' A' ' 79' ' ' THR . 22.9 m-30 -90.94 27.21 1.88 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.831 ' HG3' HG23 ' A' ' 12' ' ' VAL . 3.8 tmm_? -44.05 -59.49 2.29 Favored 'General case' 0 C--N 1.322 -0.598 0 O-C-N 124.434 1.084 . . . . 0.0 110.093 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -47.04 -36.65 8.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.4 tt -76.71 -38.27 54.65 Favored 'General case' 0 C--N 1.316 -0.882 0 O-C-N 124.823 1.327 . . . . 0.0 109.294 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.1 m -64.82 -53.04 53.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 110.442 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 43.2 t -53.12 -45.46 53.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.432 1.083 . . . . 0.0 109.367 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -55.49 -53.86 51.11 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.547 1.154 . . . . 0.0 110.442 179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -56.75 -45.41 82.04 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.695 1.247 . . . . 0.0 110.264 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.9 m -62.15 -59.47 5.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.537 1.148 . . . . 0.0 110.399 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.525 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -41.96 -43.14 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.821 1.326 . . . . 0.0 109.294 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.577 ' OD1' HD11 ' A' ' 125' ' ' LEU . 6.3 t-20 -70.15 -54.71 11.77 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.473 1.108 . . . . 0.0 109.197 -179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -43.76 -56.99 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.303 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.2 pt -63.5 -56.47 16.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.534 1.146 . . . . 0.0 109.147 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.476 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.7 m -44.44 -45.13 8.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.402 1.064 . . . . 0.0 110.047 -179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.423 HD13 HD21 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -69.59 -51.07 38.59 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.445 1.091 . . . . 0.0 109.231 -179.898 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -125.95 112.96 16.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -82.4 54.77 2.69 Favored 'General case' 0 N--CA 1.449 -0.495 0 O-C-N 124.47 1.106 . . . . 0.0 109.5 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -130.53 -52.05 1.08 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 ' O ' HG22 ' A' ' 29' ' ' ILE . 4.6 mm? -65.15 115.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -101.71 142.42 24.57 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.34 1.025 . . . . 0.0 109.313 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.47 137.16 22.6 Favored 'Trans proline' 0 N--CA 1.45 -1.084 0 O-C-N 124.212 1.638 . . . . 0.0 111.214 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 39' ' ' LEU . 15.8 t -134.94 164.71 33.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.793 1.308 . . . . 0.0 109.525 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.493 ' C ' HD13 ' A' ' 39' ' ' LEU . 3.4 tm? -138.15 121.75 17.38 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.326 1.016 . . . . 0.0 109.19 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -137.92 131.05 30.33 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.932 1.395 . . . . 0.0 109.195 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -101.74 157.98 16.45 Favored 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.4 1.062 . . . . 0.0 109.709 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -154.0 145.75 23.38 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.625 1.203 . . . . 0.0 111.149 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.5 m -61.2 -173.55 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.696 1.248 . . . . 0.0 109.47 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 48' ' ' SER . 1.8 m-85 -154.39 134.65 13.27 Favored 'General case' 0 N--CA 1.45 -0.432 0 O-C-N 124.441 1.088 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 64.93 -77.55 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.562 1.164 . . . . 0.0 109.705 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.435 ' N ' ' O ' ' A' ' 44' ' ' PHE . 23.8 t70 -174.72 42.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.497 1.123 . . . . 0.0 109.141 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 171.42 -60.33 0.17 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.46 1.1 . . . . 0.0 110.94 179.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.447 ' O ' ' N ' ' A' ' 44' ' ' PHE . 52.8 m -45.91 169.4 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 O-C-N 124.63 0.841 . . . . 0.0 110.114 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 43.7 t -167.42 141.51 3.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.04 0.838 . . . . 0.0 109.797 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -136.59 174.13 10.96 Favored 'General case' 0 C--N 1.328 -0.327 0 O-C-N 124.641 1.213 . . . . 0.0 110.177 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.884 ' C ' HD22 ' A' ' 52' ' ' LEU . 47.6 mt-10 -112.61 123.12 49.58 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.4 1.062 . . . . 0.0 110.069 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.884 HD22 ' C ' ' A' ' 51' ' ' GLU . 2.7 mm? -128.31 135.86 50.19 Favored 'General case' 0 N--CA 1.444 -0.759 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.382 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 26.1 ptm -96.46 142.59 28.38 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.454 1.096 . . . . 0.0 111.037 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.1 p-10 -124.39 153.19 42.24 Favored 'General case' 0 N--CA 1.452 -0.329 0 O-C-N 124.405 1.066 . . . . 0.0 109.257 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.7 mt -110.29 107.99 17.93 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.1 m -112.22 129.76 56.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' N ' HD13 ' A' ' 35' ' ' LEU . . . -166.0 -172.69 33.65 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.443 1.089 . . . . 0.0 110.993 179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.619 HG22 ' HB3' ' A' ' 71' ' ' PRO . 21.9 p -136.66 138.0 40.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.42 0.718 . . . . 0.0 110.683 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.559 HG23 ' HD2' ' A' ' 60' ' ' PRO . 9.0 mm -116.01 138.32 24.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.372 1.045 . . . . 0.0 109.387 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.559 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.2 Cg_endo -75.34 116.17 4.45 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.538 1.809 . . . . 0.0 110.759 -179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.618 ' HB ' HD12 ' A' ' 70' ' ' ILE . 2.9 t -116.28 95.79 46.03 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.534 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.451 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.76 147.28 34.83 Favored 'Trans proline' 0 C--N 1.356 0.941 0 O-C-N 124.32 1.695 . . . . 0.0 111.037 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.556 ' CZ ' ' CD ' ' A' ' 64' ' ' ARG . 65.7 t80 -153.22 127.1 8.91 Favored 'General case' 0 C--N 1.32 -0.695 0 O-C-N 124.447 1.092 . . . . 0.0 111.206 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.556 ' CD ' ' CZ ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 60.93 19.95 10.28 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.444 1.09 . . . . 0.0 110.21 179.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 91.76 11.12 60.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.399 1.062 . . . . 0.0 110.994 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.639 HD22 ' N ' ' A' ' 66' ' ' ASN . 1.2 m-80 -101.78 -177.39 3.41 Favored 'General case' 0 N--CA 1.449 -0.497 0 O-C-N 124.487 0.757 . . . . 0.0 109.552 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 36.7 m -133.42 124.57 27.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.514 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -118.39 157.01 27.97 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.25 0.969 . . . . 0.0 111.031 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -120.54 93.74 4.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.12 . . . . 0.0 109.38 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.618 HD12 ' HB ' ' A' ' 61' ' ' VAL . 17.5 mt -100.58 110.74 61.32 Favored Pre-proline 0 C--N 1.323 -0.554 0 O-C-N 124.557 1.161 . . . . 0.0 109.34 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.619 ' HB3' HG22 ' A' ' 58' ' ' THR . 18.4 Cg_endo -74.98 162.65 36.81 Favored 'Trans proline' 0 C--N 1.363 1.306 0 O-C-N 124.624 1.855 . . . . 0.0 110.998 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.41 HG23 ' C ' ' A' ' 71' ' ' PRO . 0.2 OUTLIER -152.72 138.86 12.23 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.558 0 O-C-N 124.319 1.012 . . . . 0.0 109.437 179.822 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.418 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 29.0 t -118.38 144.53 45.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 108.44 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.55 156.8 41.65 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.838 1.336 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.74 ' C ' HD22 ' A' ' 76' ' ' LEU . 52.2 m95 -125.23 141.9 51.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 108.009 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.74 HD22 ' C ' ' A' ' 75' ' ' TRP . 1.7 mm? -120.0 168.65 10.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 109.337 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -144.45 168.16 20.76 Favored 'General case' 0 N--CA 1.446 -0.645 0 O-C-N 124.813 1.321 . . . . 0.0 109.273 -179.896 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -79.53 -36.69 38.04 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 124.455 1.097 . . . . 0.0 109.418 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.484 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 5.4 t -174.4 -38.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.455 -179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.597 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 0.3 OUTLIER -122.77 165.35 22.03 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 114.697 -1.138 . . . . 0.0 111.007 -179.774 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.597 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 19.4 Cg_endo -74.96 -48.58 0.26 Allowed 'Cis proline' 0 C--N 1.36 1.151 0 C-N-CA 120.947 -2.522 . . . . 0.0 111.132 -0.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -86.42 108.75 18.63 Favored 'General case' 0 C--N 1.321 -0.637 0 O-C-N 124.603 1.189 . . . . 0.0 110.803 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.766 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.2 t30 -42.06 -51.0 10.69 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.173 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.0 148.83 35.8 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.564 1.823 . . . . 0.0 110.97 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.623 ' HB3' HD13 ' A' ' 76' ' ' LEU . 18.4 Cg_endo -74.99 166.61 28.84 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.534 1.808 . . . . 0.0 111.024 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.13 141.76 19.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 4.7 p -113.92 137.67 51.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 0.0 108.258 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.529 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 2.5 p90 -162.86 144.21 9.98 Favored 'General case' 0 N--CA 1.447 -0.617 0 O-C-N 124.437 1.086 . . . . 0.0 110.862 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.607 HG13 HD11 ' A' ' 97' ' ' ILE . 7.2 p -83.46 140.97 15.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.973 -1.012 . . . . 0.0 109.356 179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.19 118.38 58.06 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.666 1.229 . . . . 0.0 109.201 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -74.75 154.33 43.72 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.35 1.711 . . . . 0.0 111.04 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 42.6 p -101.28 -164.99 1.15 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.146 -0.934 . . . . 0.0 110.225 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.16 -38.44 7.7 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 114.896 -1.047 . . . . 0.0 110.037 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.38 -50.82 10.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.255 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -76.55 -176.25 3.66 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.812 -1.086 . . . . 0.0 111.265 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 141' ' ' VAL . 0.2 OUTLIER -136.73 175.14 9.89 Favored 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.656 1.223 . . . . 0.0 110.297 -179.735 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.607 HD11 HG13 ' A' ' 89' ' ' VAL . 4.2 tt -125.4 103.95 12.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.518 ' HB2' ' CD1' ' A' ' 142' ' ' PHE . 0.4 OUTLIER -94.89 37.34 1.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 1.137 . . . . 0.0 109.458 179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.423 ' HA ' HG12 ' A' ' 103' ' ' VAL . 1.8 p 43.24 -167.58 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.457 1.098 . . . . 0.0 110.494 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -169.77 179.59 42.08 Favored Glycine 0 CA--C 1.533 1.194 0 O-C-N 124.834 1.334 . . . . 0.0 110.857 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.26 -41.66 13.32 Favored 'General case' 0 C--N 1.323 -0.587 0 O-C-N 124.703 0.884 . . . . 0.0 109.299 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.979 ' NE2' HG11 ' A' ' 134' ' ' VAL . 3.3 p80 -115.51 -35.72 4.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 109.655 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 99' ' ' THR . 71.2 t -58.13 97.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 O-C-N 124.686 1.241 . . . . 0.0 109.308 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -71.57 -174.93 1.2 Allowed 'General case' 0 CA--C 1.539 0.527 0 O-C-N 124.555 1.159 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -67.45 -21.05 65.57 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.923 1.389 . . . . 0.0 109.054 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 66.0 m-20 -94.51 9.51 38.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.497 1.123 . . . . 0.0 109.268 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.53 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 68.65 9.9 59.73 Favored Glycine 0 CA--C 1.528 0.862 0 O-C-N 124.523 1.139 . . . . 0.0 110.963 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -77.15 147.5 36.49 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.68 0.871 . . . . 0.0 109.162 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.541 ' CD1' ' CE ' ' A' ' 131' ' ' MET . 1.3 mp -87.03 100.78 10.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.295 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -89.64 37.8 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.997 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.523 ' HG ' ' CG ' ' A' ' 102' ' ' HIS . 19.2 mt -64.84 148.53 97.31 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.2 Cg_endo -74.93 -24.26 13.15 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.789 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -78.46 -22.9 46.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 1.143 . . . . 0.0 111.054 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 7.8 tp -76.19 -58.2 3.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 1.155 . . . . 0.0 109.268 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t60 -50.72 -40.16 53.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.65 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -102.13 37.78 1.8 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.115 . . . . 0.0 110.346 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.64 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.6 t90 -82.01 111.61 18.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.401 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -123.78 75.63 1.36 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.508 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -40.89 160.88 0.12 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.617 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.508 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.03 1.78 15.58 Favored 'Cis proline' 0 C--N 1.359 1.091 0 C-N-CA 120.94 -2.525 . . . . 0.0 110.977 -0.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.45 ' C ' ' O ' ' A' ' 120' ' ' PRO . 61.1 mm-40 -34.89 -63.72 0.3 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.64 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.09 170.9 9.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.465 1.103 . . . . 0.0 109.975 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -165.28 174.86 9.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.299 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 85' ' ' PRO . 0.5 OUTLIER -70.33 -44.82 67.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.577 HD11 ' OD1' ' A' ' 27' ' ' ASN . 7.4 mp -48.42 -52.31 22.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -66.73 -46.57 74.14 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.541 1.151 . . . . 0.0 110.988 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.24 -34.6 15.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 0.79 . . . . 0.0 109.314 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.475 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.1 mp -84.9 -33.55 8.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.263 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.598 ' O ' HG22 ' A' ' 132' ' ' ILE . 2.1 tt0 -61.18 -57.49 12.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.532 1.145 . . . . 0.0 110.341 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 131' ' ' MET . 2.6 p -43.88 -50.36 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.541 ' CE ' ' CD1' ' A' ' 109' ' ' ILE . 18.6 mtt -54.23 -54.0 45.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.598 HG22 ' O ' ' A' ' 129' ' ' GLN . 0.9 OUTLIER -45.39 -29.69 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.271 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -86.95 -61.53 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 0.0 109.339 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.979 HG11 ' NE2' ' A' ' 102' ' ' HIS . 25.8 t -47.41 -49.84 8.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.338 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.595 ' CE2' HG21 ' A' ' 70' ' ' ILE . 4.6 m-85 -71.58 -34.41 69.9 Favored 'General case' 0 N--CA 1.45 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 111.035 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.456 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -69.79 -5.76 53.01 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -114.96 -40.53 3.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.775 . . . . 0.0 109.387 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -145.26 118.84 5.46 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.393 1.058 . . . . 0.0 110.322 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.28 113.74 3.84 Favored 'Trans proline' 0 C--N 1.359 1.082 0 O-C-N 124.772 1.933 . . . . 0.0 111.114 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.449 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 19.0 Cg_endo -75.15 -9.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.425 1.75 . . . . 0.0 110.969 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 96' ' ' THR . 13.2 t -77.19 -67.61 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 CA-C-N 115.08 -0.963 . . . . 0.0 109.371 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.578 ' CD1' ' N ' ' A' ' 143' ' ' SER . 0.3 OUTLIER 56.35 162.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 111.076 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.578 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 1.4 p -178.35 41.06 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.431 1.082 . . . . 0.0 109.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.43 86.21 17.63 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.349 1.031 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.356 0.952 0 O-C-N 124.604 1.844 . . . . 0.0 110.995 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.427 ' C ' HG22 ' A' ' 3' ' ' VAL . . . . . . . . 0 C--O 1.232 0.183 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.427 HG22 ' C ' ' A' ' 2' ' ' ALA . 24.3 m 41.65 47.69 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 124.674 1.234 . . . . 0.0 109.576 -179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 28.1 p -144.51 165.45 27.93 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.384 1.053 . . . . 0.0 110.187 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -49.48 -29.61 6.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.747 -1.115 . . . . 0.0 110.211 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.33 -48.88 73.91 Favored 'General case' 0 N--CA 1.451 -0.408 0 O-C-N 124.493 1.12 . . . . 0.0 110.123 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.4 ' O ' ' N ' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -69.12 -56.64 7.08 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.663 179.779 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -43.24 -40.11 3.28 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 125.091 1.494 . . . . 0.0 109.135 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 13' ' ' SER . 12.0 tttm -62.5 -48.6 78.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.428 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' N ' ' O ' ' A' ' 7' ' ' GLN . 32.0 tttt -62.96 -22.65 66.95 Favored 'General case' 0 N--CA 1.45 -0.462 0 O-C-N 124.29 0.994 . . . . 0.0 109.572 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 4.6 mmt -81.72 -32.29 31.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.981 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.7 m -108.61 14.88 8.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 O-C-N 124.202 0.939 . . . . 0.0 109.481 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.438 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.7 m -76.55 -26.63 55.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.72 -179.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -26.07 25.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.105 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.588 ' CD1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -55.26 122.25 10.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.926 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.05 -56.01 25.98 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.426 1.079 . . . . 0.0 108.886 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.571 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 28.5 m-85 -91.6 38.62 0.98 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.772 1.295 . . . . 0.0 111.142 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.478 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 0.5 OUTLIER -60.95 -31.05 70.62 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.606 1.191 . . . . 0.0 110.331 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 34.0 m-20 -67.0 -42.93 84.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.702 1.251 . . . . 0.0 109.118 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.2 tt -71.27 -33.56 69.9 Favored 'General case' 0 C--N 1.32 -0.687 0 O-C-N 124.603 1.19 . . . . 0.0 109.267 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -75.25 -53.53 8.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 110.395 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.3 t -55.49 -44.08 74.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 O-C-N 124.548 1.155 . . . . 0.0 109.085 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -49.05 73.42 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.433 1.083 . . . . 0.0 110.344 -179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -62.07 -37.54 85.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.844 -1.071 . . . . 0.0 110.261 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.429 HG22 HD13 ' A' ' 29' ' ' ILE . 4.0 m -68.21 -59.45 3.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.606 1.191 . . . . 0.0 110.466 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.558 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.18 -40.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 109.415 -179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 38.9 t-20 -74.81 -56.19 5.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.432 1.082 . . . . 0.0 109.342 179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -44.07 -48.91 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 114.815 -1.084 . . . . 0.0 109.301 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.558 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.9 pt -70.89 -53.93 19.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 109.224 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.47 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.1 m -47.82 -42.58 26.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 114.959 -1.019 . . . . 0.0 110.039 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -75.64 -46.95 28.55 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.629 1.206 . . . . 0.0 109.24 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.661 ' CE2' HD11 ' A' ' 132' ' ' ILE . 0.1 OUTLIER -114.39 116.21 28.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.985 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mmmt -83.49 -30.59 27.06 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.861 1.351 . . . . 0.0 108.77 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.57 -34.36 69.12 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.576 HD23 ' CG ' ' A' ' 32' ' ' TYR . 2.6 mm? -71.89 128.96 37.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.608 1.192 . . . . 0.0 109.423 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.83 118.5 25.79 Favored Pre-proline 0 C--N 1.323 -0.549 0 O-C-N 124.59 1.181 . . . . 0.0 109.27 -179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.94 136.17 20.17 Favored 'Trans proline' 0 C--N 1.362 1.241 0 O-C-N 124.607 1.846 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.44 HG12 ' N ' ' A' ' 39' ' ' LEU . 15.3 t -134.4 165.73 30.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.396 1.06 . . . . 0.0 109.276 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.44 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.4 tm? -125.65 109.88 13.14 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.452 1.095 . . . . 0.0 109.387 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -132.0 131.24 42.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.697 1.248 . . . . 0.0 109.0 -179.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 m -85.18 117.1 23.92 Favored 'General case' 0 C--N 1.316 -0.865 0 O-C-N 124.635 1.209 . . . . 0.0 110.082 179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 80.6 t80 -80.45 123.93 28.48 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 124.394 1.059 . . . . 0.0 111.123 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 48' ' ' SER . 14.3 m -90.21 141.42 14.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 O-C-N 124.362 1.039 . . . . 0.0 109.315 -179.754 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 24.4 m-85 -90.66 68.67 6.57 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.586 1.179 . . . . 0.0 111.151 179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 2.5 m120 57.41 34.23 24.37 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.316 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.2 OUTLIER 75.82 26.44 1.05 Allowed 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.446 1.091 . . . . 0.0 109.191 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.83 -15.69 19.54 Favored Glycine 0 CA--C 1.527 0.827 0 O-C-N 124.744 1.277 . . . . 0.0 111.145 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 30.3 t -176.04 179.14 1.34 Allowed 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 124.29 0.641 . . . . 0.0 110.238 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.0 p -150.37 104.92 3.28 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.227 0.955 . . . . 0.0 109.797 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.434 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -112.11 128.11 56.11 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.508 1.13 . . . . 0.0 110.169 -179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.575 ' O ' HD22 ' A' ' 52' ' ' LEU . 2.3 mp0 -72.61 110.62 7.11 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.291 0.995 . . . . 0.0 110.289 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 51' ' ' GLU . 4.6 mm? -126.91 146.67 50.21 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 124.534 1.146 . . . . 0.0 109.535 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -84.23 139.24 32.49 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.949 1.406 . . . . 0.0 111.0 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 -124.6 139.65 53.67 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 34.6 mt -106.76 112.26 25.15 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.233 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.9 t -120.28 128.26 53.14 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 125.029 1.455 . . . . 0.0 110.374 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -167.89 165.29 38.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.44 1.087 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 71' ' ' PRO . 20.7 p -119.34 141.96 48.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.422 0.719 . . . . 0.0 110.221 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 2.2 pt -115.43 148.35 40.71 Favored Pre-proline 0 C--N 1.323 -0.562 0 O-C-N 124.93 1.394 . . . . 0.0 108.825 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 59' ' ' ILE . 18.1 Cg_endo -75.21 127.41 10.52 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.571 1.827 . . . . 0.0 110.864 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.447 ' O ' HG12 ' A' ' 61' ' ' VAL . 3.3 t -131.77 98.39 17.86 Favored Pre-proline 0 C--N 1.321 -0.642 0 O-C-N 124.262 0.976 . . . . 0.0 109.554 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.48 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 17.8 Cg_endo -75.24 128.42 11.29 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.498 1.788 . . . . 0.0 110.925 -179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -100.28 -61.71 1.33 Allowed 'General case' 0 C--N 1.32 -0.706 0 O-C-N 124.349 1.03 . . . . 0.0 111.034 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.95 60.76 0.66 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.332 1.02 . . . . 0.0 110.286 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 100.79 -19.05 53.88 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.742 1.276 . . . . 0.0 111.023 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.48 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.0 OUTLIER -104.78 156.26 18.16 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 37.1 m -115.43 130.23 56.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.781 1.301 . . . . 0.0 110.358 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -105.76 155.8 18.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.558 1.161 . . . . 0.0 111.167 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 -115.78 86.72 2.53 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.545 1.153 . . . . 0.0 109.219 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.11 114.08 29.65 Favored Pre-proline 0 C--N 1.328 -0.355 0 O-C-N 124.489 1.118 . . . . 0.0 109.272 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.3 Cg_endo -74.84 128.82 11.93 Favored 'Trans proline' 0 C--N 1.362 1.243 0 O-C-N 124.507 1.793 . . . . 0.0 110.848 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.15 138.93 48.24 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 O-C-N 124.914 1.384 . . . . 0.0 109.064 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.55 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 4.4 t -122.74 140.93 52.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 108.366 179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -136.14 153.86 51.15 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.801 1.313 . . . . 0.0 109.529 179.763 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.498 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 87.9 m95 -125.73 126.43 44.61 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 108.006 -1.109 . . . . 0.0 108.006 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.556 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.9 mm? -90.22 170.56 10.18 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.462 1.101 . . . . 0.0 109.314 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.005 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -150.6 166.67 29.58 Favored 'General case' 0 N--CA 1.445 -0.692 0 O-C-N 124.58 1.175 . . . . 0.0 109.57 -179.873 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.588 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.3 m-20 -94.99 -35.36 12.0 Favored 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.602 1.189 . . . . 0.0 109.112 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.9 t -166.63 -42.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 110.389 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.496 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -83.62 162.27 53.67 Favored Pre-proline 0 N--CA 1.452 -0.37 0 O-C-N 124.585 1.178 . . . . 0.0 111.371 179.772 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 -41.68 0.96 Allowed 'Cis proline' 0 C--N 1.359 1.101 0 C-N-CA 121.11 -2.454 . . . . 0.0 110.893 -0.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -103.22 -51.73 3.18 Favored 'General case' 0 C--N 1.319 -0.75 0 O-C-N 124.417 1.073 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.005 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.6 OUTLIER 164.91 -51.13 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.553 ' HB3' ' CZ3' ' A' ' 117' ' ' TRP . 18.2 Cg_endo -75.0 144.48 30.28 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.574 1.828 . . . . 0.0 110.962 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.498 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.5 Cg_endo -74.99 -178.12 3.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.498 1.789 . . . . 0.0 111.004 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.1 mp -104.5 141.47 19.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 3.6 m -122.26 117.12 25.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 108.338 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.55 ' CE1' ' HB3' ' A' ' 73' ' ' CYS . 2.6 p90 -153.21 154.27 34.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 110.931 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 14.6 m -82.43 167.74 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.47 1.106 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG3' ' CE2' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -144.82 93.02 5.71 Favored Pre-proline 0 C--N 1.322 -0.623 0 O-C-N 124.846 1.341 . . . . 0.0 109.244 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.479 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.0 Cg_endo -75.23 158.02 41.53 Favored 'Trans proline' 0 C--N 1.363 1.337 0 O-C-N 124.003 1.528 . . . . 0.0 110.94 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 60.8 p -94.85 -164.39 1.16 Allowed 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.871 1.357 . . . . 0.0 110.42 179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.72 -49.0 27.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 114.831 -1.077 . . . . 0.0 109.778 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.2 t -64.26 -54.75 28.41 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 110.024 -179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.66 -172.91 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.39 1.056 . . . . 0.0 110.743 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.772 HG21 ' HB2' ' A' ' 143' ' ' SER . 10.1 t -158.75 -162.46 1.1 Allowed 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.213 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.479 HD12 ' HG3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER -150.61 133.49 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.521 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.86 41.17 3.52 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.433 HG22 ' HA ' ' A' ' 105' ' ' ALA . 66.5 p 42.74 -165.43 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.353 1.033 . . . . 0.0 110.446 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 166.56 177.32 38.38 Favored Glycine 0 CA--C 1.536 1.386 0 O-C-N 124.434 1.084 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.91 -43.66 94.72 Favored 'General case' 0 C--N 1.317 -0.814 0 O-C-N 125.203 1.178 . . . . 0.0 109.239 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.453 ' CB ' ' HG ' ' A' ' 111' ' ' LEU . 7.4 m-70 -126.72 33.21 5.0 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.563 1.164 . . . . 0.0 109.672 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.6 t -115.68 -5.7 11.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 109.191 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 43.04 -162.85 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.433 ' HA ' HG22 ' A' ' 99' ' ' THR . . . -104.28 -20.63 13.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.624 1.203 . . . . 0.0 109.406 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 19.4 m-20 -104.04 36.23 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.558 1.161 . . . . 0.0 109.207 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 45.55 43.47 10.91 Favored Glycine 0 CA--C 1.533 1.16 0 O-C-N 124.535 1.147 . . . . 0.0 110.944 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 1.1 ttmt -109.02 147.64 32.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.679 0.87 . . . . 0.0 109.122 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.525 HG23 HD12 ' A' ' 111' ' ' LEU . 1.4 mp -81.26 101.94 6.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.72 33.28 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 111.005 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.525 HD12 HG23 ' A' ' 109' ' ' ILE . 0.8 OUTLIER -61.08 149.83 80.73 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.52 1.137 . . . . 0.0 109.324 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.446 ' HD2' HD23 ' A' ' 111' ' ' LEU . 18.3 Cg_endo -74.95 -22.66 14.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.471 1.774 . . . . 0.0 111.011 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -77.97 -26.41 48.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.075 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.45 HD22 HG22 ' A' ' 109' ' ' ILE . 18.2 tp -80.72 -62.46 1.66 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.407 1.067 . . . . 0.0 109.257 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -46.19 -42.14 13.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.613 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -101.85 40.45 1.32 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.278 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.645 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 4.8 t90 -81.29 111.57 17.8 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.7 ttpt -119.08 71.5 0.86 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.51 ' HA ' ' C ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -40.54 159.88 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.591 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -74.94 1.5 15.54 Favored 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 120.971 -2.512 . . . . 0.0 111.052 -0.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 120' ' ' PRO . 49.2 mm-40 -35.48 -64.65 0.28 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.46 1.1 . . . . 0.0 110.311 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.645 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.1 168.63 10.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.908 -179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.484 ' O ' HD23 ' A' ' 127' ' ' LEU . 1.6 m-20 -167.32 166.11 14.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 109.276 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.421 ' O ' HD12 ' A' ' 128' ' ' ILE . 0.2 OUTLIER -60.08 -45.17 93.81 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 125' ' ' LEU . 3.5 mm? -56.43 -62.37 1.77 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.453 1.096 . . . . 0.0 109.317 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.51 -21.7 28.76 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.538 1.149 . . . . 0.0 110.993 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.484 HD23 ' O ' ' A' ' 123' ' ' ASP . 0.8 OUTLIER -74.1 -71.56 0.32 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 0.77 . . . . 0.0 109.286 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 124' ' ' LEU . 1.3 mp -39.69 -30.02 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.526 1.141 . . . . 0.0 109.335 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.438 ' N ' ' C ' ' A' ' 127' ' ' LEU . 4.6 tm0? -57.93 -56.62 19.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -52.34 -44.18 42.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.402 1.064 . . . . 0.0 109.262 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.476 ' CE ' HG12 ' A' ' 109' ' ' ILE . 30.4 mtt -61.33 -53.11 60.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.124 . . . . 0.0 110.977 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.661 HD11 ' CE2' ' A' ' 32' ' ' TYR . 1.6 mt -45.08 -32.45 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 35.6 t -91.08 -62.52 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 6.2 t -41.93 -45.89 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.153 . . . . 0.0 109.288 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.433 ' O ' HG22 ' A' ' 61' ' ' VAL . 15.2 m-85 -83.71 -32.25 25.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 110.684 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.54 -15.03 56.74 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.316 1.01 . . . . 0.0 110.957 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -87.62 -50.5 6.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 0.772 . . . . 0.0 109.272 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -163.2 150.01 10.52 Favored Pre-proline 0 C--N 1.323 -0.576 0 O-C-N 124.658 1.224 . . . . 0.0 110.28 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 122.57 7.29 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.525 1.803 . . . . 0.0 110.978 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.16 -12.8 21.2 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.49 1.784 . . . . 0.0 110.721 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 21.4 m -101.42 128.41 53.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 O-C-N 124.567 1.167 . . . . 0.0 109.202 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.58 ' O ' HG23 ' A' ' 96' ' ' THR . 36.6 t80 -178.75 173.58 1.25 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.849 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.772 ' HB2' HG21 ' A' ' 96' ' ' THR . 0.1 OUTLIER -129.4 56.61 1.69 Allowed 'General case' 0 C--N 1.328 -0.344 0 O-C-N 124.618 1.199 . . . . 0.0 109.958 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.446 ' HA ' ' CE2' ' A' ' 142' ' ' PHE . 0.4 OUTLIER -56.96 150.71 37.56 Favored Pre-proline 0 C--N 1.327 -0.387 0 O-C-N 124.559 1.162 . . . . 0.0 110.372 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.654 1.87 . . . . 0.0 111.287 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.596 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.436 ' O ' ' HB2' ' A' ' 7' ' ' GLN . 0.2 OUTLIER -135.07 19.61 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 O-C-N 124.54 1.15 . . . . 0.0 109.585 179.871 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 79.61 143.01 0.08 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 125.005 1.441 . . . . 0.0 109.677 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -50.24 -27.87 6.72 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.496 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -62.84 -46.62 87.05 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.362 1.039 . . . . 0.0 109.934 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.436 ' HB2' ' O ' ' A' ' 3' ' ' VAL . 8.8 tp60 -71.94 -50.22 30.9 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.568 1.168 . . . . 0.0 110.302 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.517 HD21 ' HB2' ' A' ' 37' ' ' PRO . 1.8 tp -45.74 -38.67 7.23 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.566 1.166 . . . . 0.0 109.161 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -65.98 -54.34 27.45 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.74 1.275 . . . . 0.0 109.188 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -31.03 68.24 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.769 1.293 . . . . 0.0 109.103 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.595 ' CE ' HD12 ' A' ' 39' ' ' LEU . 4.7 mmt -69.14 -48.58 62.01 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.402 1.064 . . . . 0.0 111.131 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.6 m -86.85 8.35 2.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.872 1.357 . . . . 0.0 109.235 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.7 t -75.51 -3.73 35.73 Favored 'General case' 0 C--N 1.321 -0.657 0 O-C-N 124.543 1.152 . . . . 0.0 109.683 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 8.5 ttmm -99.44 -32.59 11.07 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.986 1.429 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.596 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 1.9 m-85 -45.7 128.07 8.27 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.565 1.166 . . . . 0.0 111.148 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -53.56 -44.53 69.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.315 1.009 . . . . 0.0 109.057 -179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.477 ' O ' ' N ' ' A' ' 19' ' ' ASP . 0.1 OUTLIER -87.92 -64.41 1.15 Allowed 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.078 -0.964 . . . . 0.0 111.082 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.405 ' HB3' ' O ' ' A' ' 17' ' ' TYR . 2.3 ttt180 66.65 -66.58 0.18 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.663 1.227 . . . . 0.0 110.259 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' TYR . 11.4 t70 -45.51 -44.69 12.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.58 1.175 . . . . 0.0 109.451 -179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 17' ' ' TYR . 1.9 tt -67.94 -53.2 28.1 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.52 HG22 ' CE ' ' A' ' 53' ' ' MET . 17.0 m -53.58 -55.35 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.462 1.101 . . . . 0.0 110.353 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.4 t -57.89 -42.34 82.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 O-C-N 124.669 1.231 . . . . 0.0 108.952 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -57.48 -54.26 48.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.911 ' O ' HG23 ' A' ' 28' ' ' VAL . 4.0 tt0 -66.46 -28.85 68.92 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.314 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.6 m -74.31 -36.11 63.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 0.0 110.354 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.478 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -69.5 -39.47 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.42 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.706 HD21 HD21 ' A' ' 125' ' ' LEU . 6.6 t-20 -68.37 -58.2 4.74 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 124.62 1.2 . . . . 0.0 109.208 -179.83 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.911 HG23 ' O ' ' A' ' 24' ' ' GLU . 72.9 t -39.81 -58.79 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.37 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.475 HD11 ' HA ' ' A' ' 26' ' ' VAL . 3.0 pt -62.97 -56.11 19.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.11 . . . . 0.0 109.208 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.478 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -42.79 -45.21 4.75 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.295 0.997 . . . . 0.0 110.714 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.728 ' HG ' HD23 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -77.97 -36.43 49.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.545 1.153 . . . . 0.0 109.323 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' ILE . 95.2 m-85 -134.74 84.69 2.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.993 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -56.7 -38.78 72.76 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 109.576 179.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 33' ' ' LYS . 0.9 OUTLIER -40.7 -38.12 0.85 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.56 1.162 . . . . 0.0 108.933 -179.524 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.574 HD21 HD11 ' A' ' 72' ' ' ILE . 8.5 mp -75.58 128.89 36.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.238 -179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 134.63 22.41 Favored Pre-proline 0 N--CA 1.448 -0.547 0 O-C-N 124.529 1.143 . . . . 0.0 109.678 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.517 ' HB2' HD21 ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.97 138.76 23.54 Favored 'Trans proline' 0 C--N 1.358 1.027 0 O-C-N 124.442 1.759 . . . . 0.0 110.996 -179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.2 t -131.03 157.02 43.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.639 1.212 . . . . 0.0 109.436 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD12 ' CE ' ' A' ' 11' ' ' MET . 3.1 tm? -117.3 97.95 6.17 Favored 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.603 1.19 . . . . 0.0 109.122 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -104.3 124.98 50.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.301 1.0 . . . . 0.0 109.405 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 26.5 p -106.72 138.83 42.17 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.022 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -150.32 177.36 10.03 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.437 1.085 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.442 ' O ' ' N ' ' A' ' 45' ' ' ASN . 1.4 m -118.74 141.1 40.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 109.589 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 46' ' ' ASP . 22.6 m-85 -68.49 60.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.767 -179.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.442 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.9 t-20 69.43 -60.03 0.47 Allowed 'General case' 0 C--N 1.323 -0.563 0 O-C-N 124.5 1.125 . . . . 0.0 109.579 -179.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' O ' ' C ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER -145.54 -40.7 0.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 124.793 1.308 . . . . 0.0 109.596 -179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.55 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -24.83 -72.18 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.709 1.256 . . . . 0.0 110.817 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.2 t -178.33 -178.7 0.64 Allowed 'General case' 0 C--N 1.32 -0.7 0 O-C-N 124.314 0.655 . . . . 0.0 110.281 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 88.3 p -92.39 147.55 22.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.37 1.043 . . . . 0.0 110.051 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.2 mmt85 -148.97 158.95 44.57 Favored 'General case' 0 C--N 1.318 -0.778 0 O-C-N 125.011 1.444 . . . . 0.0 110.665 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.552 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.8 mp0 -108.79 115.48 30.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.481 1.113 . . . . 0.0 110.04 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.552 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.8 mm? -119.61 146.53 45.45 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.226 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.546 ' O ' HD23 ' A' ' 76' ' ' LEU . 27.7 ttp -95.51 109.68 21.86 Favored 'General case' 0 C--N 1.321 -0.643 0 O-C-N 124.55 1.157 . . . . 0.0 111.024 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 11.4 p-10 -96.49 138.84 33.47 Favored 'General case' 0 C--N 1.319 -0.749 0 O-C-N 124.432 1.083 . . . . 0.0 109.218 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.453 HD23 ' HA ' ' A' ' 37' ' ' PRO . 8.2 mt -104.48 134.34 47.84 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.159 . . . . 0.0 109.353 179.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 m -136.32 123.92 22.3 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.615 1.197 . . . . 0.0 110.472 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -163.14 177.78 39.04 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.54 1.15 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 6.2 p -127.81 153.33 46.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.373 0.69 . . . . 0.0 110.15 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.719 HG23 ' HD2' ' A' ' 60' ' ' PRO . 18.0 mt -121.69 142.1 35.16 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.62 1.2 . . . . 0.0 109.6 179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.719 ' HD2' HG23 ' A' ' 59' ' ' ILE . 19.2 Cg_endo -74.64 102.25 1.54 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.429 1.752 . . . . 0.0 111.129 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.551 HG13 ' HA2' ' A' ' 136' ' ' GLY . 49.7 t -117.24 107.68 45.0 Favored Pre-proline 0 C--N 1.321 -0.671 0 O-C-N 124.355 1.034 . . . . 0.0 109.421 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.476 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.0 152.2 40.45 Favored 'Trans proline' 0 C--N 1.363 1.301 0 O-C-N 124.592 1.838 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -118.89 -63.4 1.4 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 1.7 mmt180 -149.1 64.68 1.03 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.589 1.18 . . . . 0.0 110.288 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.93 -13.39 67.21 Favored Glycine 0 CA--C 1.528 0.869 0 O-C-N 124.388 1.055 . . . . 0.0 110.987 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.476 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 7.3 m-20 -107.71 169.07 8.82 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.6 0.824 . . . . 0.0 109.158 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 20.7 m -125.84 119.19 27.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.81 1.319 . . . . 0.0 110.3 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -96.78 164.75 12.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -119.57 86.94 2.65 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.357 1.035 . . . . 0.0 109.416 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 1.024 HG21 ' CD2' ' A' ' 135' ' ' PHE . 26.7 mm -69.6 113.61 18.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.28 128.06 10.97 Favored 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.415 1.745 . . . . 0.0 111.221 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.574 HD11 HD21 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -124.79 150.15 29.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.975 -1.011 . . . . 0.0 109.525 -179.856 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 39.0 t -129.6 146.82 51.37 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.496 1.122 . . . . 0.0 108.465 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.467 HD23 ' HB2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -136.03 157.5 46.69 Favored 'General case' 0 N--CA 1.448 -0.566 0 O-C-N 124.382 1.051 . . . . 0.0 109.398 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 93.8 m95 -131.79 136.78 47.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 107.979 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 53' ' ' MET . 4.6 mm? -102.8 175.38 5.51 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.469 1.106 . . . . 0.0 109.343 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.924 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -149.17 171.6 16.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.099 . . . . 0.0 109.364 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.584 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 83.8 m-20 -92.28 -36.65 13.1 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.532 1.145 . . . . 0.0 109.359 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.0 t -166.36 -41.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 1.114 . . . . 0.0 110.334 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.547 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.0 OUTLIER -91.34 168.54 13.27 Favored Pre-proline 0 C--N 1.321 -0.645 0 O-C-N 124.396 1.06 . . . . 0.0 111.008 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.547 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.7 Cg_endo -74.96 -35.6 2.87 Favored 'Cis proline' 0 C--N 1.36 1.175 0 C-N-CA 121.041 -2.483 . . . . 0.0 111.05 0.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.442 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 13.1 m-85 -103.65 -57.05 2.1 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.384 1.052 . . . . 0.0 110.938 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.924 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.6 m-20 160.55 -49.91 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.629 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 154.05 42.04 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.566 1.824 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.467 ' HB2' HD23 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -75.04 168.37 24.96 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.486 1.782 . . . . 0.0 111.011 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.513 HG21 ' HE3' ' A' ' 108' ' ' LYS . 3.7 mp -104.47 139.0 26.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 22.9 m -87.84 138.51 31.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.483 1.114 . . . . 0.0 108.279 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' CE1' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -145.03 177.92 8.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 110.82 179.942 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 107' ' ' GLY . 6.2 p -135.3 150.49 29.4 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.159 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.2 tptm -121.55 91.58 48.46 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.567 1.167 . . . . 0.0 109.526 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.703 ' HG3' HD13 ' A' ' 97' ' ' ILE . 18.4 Cg_endo -74.76 160.15 41.21 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.754 1.923 . . . . 0.0 110.966 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 22.4 p -105.83 -176.5 3.1 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.385 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.7 m -76.91 -53.61 7.65 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.556 1.16 . . . . 0.0 109.776 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -48.46 -41.93 31.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.922 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.61 174.08 6.24 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.456 1.097 . . . . 0.0 110.907 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 70.0 p -129.22 -171.36 2.47 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.703 HD13 ' HG3' ' A' ' 91' ' ' PRO . 0.7 OUTLIER -134.54 100.65 3.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.558 1.161 . . . . 0.0 109.352 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.471 ' HG2' ' CB ' ' A' ' 143' ' ' SER . 0.0 OUTLIER -93.88 106.67 18.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.478 179.813 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.7 p -38.46 142.19 0.2 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.588 1.18 . . . . 0.0 110.302 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.655 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -133.54 -142.73 4.82 Favored Glycine 0 CA--C 1.53 0.982 0 CA-C-N 114.95 -1.023 . . . . 0.0 110.936 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.5 mptt -74.56 -42.7 58.32 Favored 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.478 0.752 . . . . 0.0 109.333 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.473 ' CD2' HD21 ' A' ' 111' ' ' LEU . 5.1 p80 -111.45 -50.65 2.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.615 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.655 HG23 ' N ' ' A' ' 100' ' ' GLY . 1.5 m -52.21 97.65 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 O-C-N 124.739 1.274 . . . . 0.0 109.355 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -74.39 -175.38 2.32 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.375 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -65.22 -14.6 61.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.425 1.078 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -112.26 32.23 5.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.55 1.156 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.724 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 44.34 39.55 5.63 Favored Glycine 0 CA--C 1.532 1.1 0 O-C-N 124.612 1.195 . . . . 0.0 110.958 179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.513 ' HE3' HG21 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -98.6 141.53 31.31 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.491 0.759 . . . . 0.0 109.07 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.537 HD12 ' N ' ' A' ' 109' ' ' ILE . 2.8 mp -84.69 101.82 9.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.328 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.31 37.14 2.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.971 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.49 HD12 ' CG2' ' A' ' 109' ' ' ILE . 12.5 mt -53.02 140.47 41.63 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.261 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 111' ' ' LEU . 18.3 Cg_endo -75.06 -20.58 16.6 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.518 1.799 . . . . 0.0 110.972 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.435 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.5 OUTLIER -76.66 -53.32 8.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.958 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.868 HD23 HD21 ' A' ' 127' ' ' LEU . 0.7 OUTLIER -42.97 -41.95 3.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 109.369 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -65.18 -52.81 52.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -92.23 33.98 1.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.303 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.553 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 17.3 t90 -129.22 136.99 50.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 108.027 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.597 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -176.41 38.11 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.271 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.597 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.3 m-70 168.83 163.21 0.17 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.629 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.544 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.95 -38.54 1.76 Allowed 'Cis proline' 0 C--N 1.36 1.133 0 C-N-CA 120.965 -2.515 . . . . 0.0 111.027 -0.061 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.463 ' O ' ' CD ' ' A' ' 121' ' ' GLN . 1.6 pp0? -111.63 57.33 0.63 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.574 1.171 . . . . 0.0 110.264 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.479 ' CB ' ' HA ' ' A' ' 118' ' ' LYS . 7.8 p -69.68 121.15 16.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 110.064 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -173.6 -179.73 1.89 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.458 ' CD1' HG21 ' A' ' 28' ' ' VAL . 14.1 mt -55.24 -48.38 74.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.728 HD23 ' HG ' ' A' ' 31' ' ' LEU . 4.7 mp -40.31 -65.63 0.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.571 1.17 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.474 ' O ' ' CB ' ' A' ' 129' ' ' GLN . . . -56.17 -39.17 80.24 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.868 HD21 HD23 ' A' ' 114' ' ' LEU . 0.2 OUTLIER -54.23 -71.96 0.07 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.557 0.798 . . . . 0.0 109.301 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.464 ' O ' HD12 ' A' ' 132' ' ' ILE . 1.6 mp -43.72 -27.07 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.355 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 126' ' ' GLY . 0.3 OUTLIER -58.63 -61.07 2.88 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.463 1.102 . . . . 0.0 110.324 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -42.98 -47.71 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.281 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.475 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 48.8 mtt -57.45 -50.43 73.06 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.515 1.134 . . . . 0.0 111.023 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.464 HD12 ' O ' ' A' ' 128' ' ' ILE . 0.6 OUTLIER -45.3 -34.96 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.1 t -90.54 -59.64 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 130' ' ' VAL . 55.3 t -42.44 -48.69 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 1.024 ' CD2' HG21 ' A' ' 70' ' ' ILE . 16.4 m-85 -81.28 -32.77 33.05 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.475 1.11 . . . . 0.0 111.121 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.551 ' HA2' HG13 ' A' ' 61' ' ' VAL . . . -56.33 -26.82 51.83 Favored Glycine 0 CA--C 1.529 0.912 0 O-C-N 124.336 1.022 . . . . 0.0 110.976 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.7 OUTLIER -82.36 -50.5 8.84 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.467 0.745 . . . . 0.0 109.268 179.919 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.424 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 12.1 mt-10 -161.6 152.48 15.11 Favored Pre-proline 0 N--CA 1.446 -0.643 0 O-C-N 124.543 1.152 . . . . 0.0 110.344 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.21 121.28 6.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.298 1.683 . . . . 0.0 111.042 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.418 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 17.8 Cg_endo -74.67 -24.73 13.27 Favored 'Trans proline' 0 C--N 1.364 1.375 0 O-C-N 124.531 1.806 . . . . 0.0 110.905 -179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 8.0 m -50.98 -49.34 27.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.632 1.207 . . . . 0.0 109.208 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -77.8 -177.95 5.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.165 0.916 . . . . 0.0 110.898 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.471 ' CB ' ' HG2' ' A' ' 98' ' ' LYS . 59.9 p -104.09 70.24 0.98 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.544 1.153 . . . . 0.0 110.01 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.77 92.2 0.86 Allowed Pre-proline 0 C--N 1.327 -0.395 0 O-C-N 124.312 1.007 . . . . 0.0 110.392 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo . . . . . 0 C--N 1.362 1.262 0 O-C-N 124.417 1.746 . . . . 0.0 111.091 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.652 0 N-CA-C 109.832 -0.432 . . . . 0.0 109.832 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.656 HG12 ' O ' ' A' ' 3' ' ' VAL . 68.9 t 41.76 58.84 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.693 1.246 . . . . 0.0 109.089 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -48.29 152.42 0.87 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.433 1.083 . . . . 0.0 109.831 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.7 -38.24 32.28 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 124.287 0.992 . . . . 0.0 110.379 179.745 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.93 -43.03 86.05 Favored 'General case' 0 C--N 1.322 -0.606 0 O-C-N 124.509 1.131 . . . . 0.0 110.146 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -75.67 -38.15 59.01 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.749 1.281 . . . . 0.0 110.001 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.539 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.4 tt -52.89 -50.43 63.89 Favored 'General case' 0 C--N 1.314 -0.938 0 O-C-N 124.699 1.249 . . . . 0.0 109.225 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.435 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -60.47 -48.98 79.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.467 1.104 . . . . 0.0 109.471 179.608 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.2 mttt -58.32 -33.45 69.51 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 124.632 1.207 . . . . 0.0 109.622 179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.474 ' CE ' ' HB2' ' A' ' 39' ' ' LEU . 2.6 ttm -71.07 -49.52 43.74 Favored 'General case' 0 N--CA 1.446 -0.65 0 O-C-N 124.777 1.298 . . . . 0.0 111.09 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 8' ' ' LEU . 26.9 m -88.82 13.41 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 114.556 -1.202 . . . . 0.0 109.508 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -81.3 -23.14 38.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.41 1.069 . . . . 0.0 110.282 179.391 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.7 ttmm -95.71 -20.18 19.1 Favored 'General case' 0 N--CA 1.449 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.005 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -73.0 125.03 26.66 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.902 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.9 tttp -60.51 -53.16 60.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.623 1.202 . . . . 0.0 109.181 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.442 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -89.06 36.67 0.82 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.945 1.403 . . . . 0.0 111.133 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 22' ' ' VAL . 6.3 ptt180 -46.45 -40.41 12.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.654 1.221 . . . . 0.0 110.251 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.441 ' N ' ' CG ' ' A' ' 18' ' ' ARG . 0.4 OUTLIER -67.3 -34.33 77.15 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 109.381 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -76.7 -41.21 46.17 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.447 1.092 . . . . 0.0 109.296 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.499 ' CG2' ' SD ' ' A' ' 53' ' ' MET . 1.4 m -72.44 -40.3 67.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.403 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 18' ' ' ARG . 3.4 t -57.54 -46.91 86.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.661 1.226 . . . . 0.0 109.263 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -72.97 -40.92 64.92 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -62.78 -40.3 96.88 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.502 1.126 . . . . 0.0 110.318 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.551 HG22 HD11 ' A' ' 29' ' ' ILE . 6.2 m -68.72 -58.28 4.45 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.58 1.175 . . . . 0.0 110.386 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.751 ' HA ' HD12 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -48.22 -47.32 13.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 O-C-N 124.528 1.143 . . . . 0.0 109.496 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.435 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 5.6 t-20 -49.29 -69.37 0.12 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.395 1.059 . . . . 0.0 109.264 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.451 HG21 HD23 ' A' ' 124' ' ' LEU . 70.4 t -40.4 -41.26 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.302 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.751 HD12 ' HA ' ' A' ' 26' ' ' VAL . 17.8 mt -66.9 -57.41 10.14 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.583 0 O-C-N 124.486 1.117 . . . . 0.0 109.326 -179.761 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 70.2 m -54.71 -43.09 72.26 Favored 'General case' 0 C--N 1.322 -0.591 0 O-C-N 124.588 1.18 . . . . 0.0 110.175 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -62.48 -34.1 76.17 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.075 -0.966 . . . . 0.0 109.378 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.425 ' OH ' HD11 ' A' ' 132' ' ' ILE . 5.7 m-85 -139.71 108.6 5.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 mmtm -76.18 57.52 1.14 Allowed 'General case' 0 C--N 1.322 -0.614 0 O-C-N 124.564 1.165 . . . . 0.0 109.448 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -144.4 -48.75 0.27 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.972 -1.013 . . . . 0.0 108.954 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.419 HD13 ' N ' ' A' ' 57' ' ' GLY . 3.8 mm? -64.47 110.12 2.18 Favored 'General case' 0 C--N 1.32 -0.697 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.44 148.61 34.9 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 124.416 1.073 . . . . 0.0 109.246 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.11 136.57 20.35 Favored 'Trans proline' 0 C--N 1.357 0.977 0 O-C-N 124.272 1.67 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.47 159.08 43.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 109.527 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.937 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.0 OUTLIER -150.53 108.87 3.77 Favored 'General case' 0 C--N 1.322 -0.619 0 O-C-N 124.35 1.032 . . . . 0.0 109.538 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.548 ' N ' HD22 ' A' ' 39' ' ' LEU . 10.2 t70 -133.38 144.34 49.52 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.552 1.158 . . . . 0.0 109.531 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.8 p -87.7 128.18 35.3 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 124.326 1.016 . . . . 0.0 109.827 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.5 t80 -109.59 122.32 47.18 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 110.86 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 30.6 m -41.94 158.28 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.909 -1.041 . . . . 0.0 109.33 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 48' ' ' SER . 0.2 OUTLIER -163.3 150.25 12.55 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.199 0.937 . . . . 0.0 111.31 179.765 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 27.7 t30 68.24 9.43 7.22 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 124.23 0.956 . . . . 0.0 109.61 -179.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.449 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 16.8 t0 77.85 26.56 0.62 Allowed 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 115.012 -0.994 . . . . 0.0 108.992 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -177.03 -61.26 0.06 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.673 1.233 . . . . 0.0 111.06 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 44' ' ' PHE . 60.3 m -45.16 168.08 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.808 0 O-C-N 124.375 0.691 . . . . 0.0 109.77 -179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 25.3 p -145.27 107.79 4.43 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.661 1.225 . . . . 0.0 110.117 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.738 HH21 HD11 ' A' ' 52' ' ' LEU . 10.9 ttp180 -95.38 148.81 22.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.545 1.153 . . . . 0.0 110.175 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.695 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.1 mp0 -90.11 117.39 28.85 Favored 'General case' 0 C--N 1.323 -0.584 0 O-C-N 124.761 1.288 . . . . 0.0 110.534 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.738 HD11 HH21 ' A' ' 50' ' ' ARG . 4.2 mm? -127.01 148.43 50.11 Favored 'General case' 0 N--CA 1.45 -0.461 0 O-C-N 124.615 1.197 . . . . 0.0 109.654 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.499 ' SD ' ' CG2' ' A' ' 21' ' ' THR . 22.4 ptm -105.11 153.15 21.9 Favored 'General case' 0 C--N 1.315 -0.913 0 O-C-N 124.732 1.27 . . . . 0.0 111.074 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.501 ' CB ' ' O ' ' A' ' 74' ' ' LEU . 0.6 OUTLIER -145.05 147.57 32.74 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.536 1.147 . . . . 0.0 109.252 179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -103.54 111.17 23.51 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 109.29 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 32.8 m -110.93 137.62 48.34 Favored 'General case' 0 N--CA 1.445 -0.696 0 O-C-N 124.223 0.952 . . . . 0.0 110.649 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.419 ' N ' HD13 ' A' ' 35' ' ' LEU . . . 177.26 -161.3 28.73 Favored Glycine 0 CA--C 1.528 0.863 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 59.5 p -140.28 143.36 35.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.393 0.702 . . . . 0.0 110.195 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 8.3 pt -112.41 152.6 44.68 Favored Pre-proline 0 C--N 1.323 -0.55 0 O-C-N 124.607 1.192 . . . . 0.0 108.97 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.82 102.76 1.62 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.614 1.85 . . . . 0.0 111.129 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 25.3 t -123.8 93.69 46.97 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.354 1.034 . . . . 0.0 109.592 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.82 144.64 31.18 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.608 1.846 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.528 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER -179.39 35.86 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.61 1.193 . . . . 0.0 110.926 179.899 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.467 ' HG2' ' CE1' ' A' ' 63' ' ' TYR . 0.0 OUTLIER -168.08 34.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.261 0.975 . . . . 0.0 110.431 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.18 -7.12 76.93 Favored Glycine 0 CA--C 1.529 0.958 0 CA-C-N 114.823 -1.081 . . . . 0.0 111.038 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.2 m-20 -148.7 -174.89 4.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.462 0.743 . . . . 0.0 109.447 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 7.3 m -97.19 141.57 30.14 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.355 1.034 . . . . 0.0 110.182 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.09 162.74 14.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.145 . . . . 0.0 110.92 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -107.02 82.23 1.66 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.367 1.042 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.451 HG21 ' HD2' ' A' ' 135' ' ' PHE . 25.6 mm -74.21 114.31 32.04 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.621 1.201 . . . . 0.0 109.288 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.88 130.97 13.91 Favored 'Trans proline' 0 C--N 1.362 1.288 0 O-C-N 124.605 1.845 . . . . 0.0 111.011 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.5 pt -135.88 157.05 38.29 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 O-C-N 124.269 0.981 . . . . 0.0 109.248 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 11.9 t -136.85 141.13 42.81 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.463 1.102 . . . . 0.0 108.314 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.501 ' O ' ' CB ' ' A' ' 54' ' ' ASN . 0.2 OUTLIER -123.95 148.29 47.03 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.781 1.3 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.494 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 81.6 m95 -121.2 139.58 53.18 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 107.936 -1.135 . . . . 0.0 107.936 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 77' ' ' LEU . 7.7 mp -120.59 -176.16 3.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -151.28 172.89 15.17 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.579 1.174 . . . . 0.0 109.224 -179.918 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.4 -35.53 54.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.42 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 179.14 -35.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.356 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -127.63 164.85 33.72 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.614 1.197 . . . . 0.0 111.011 179.649 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.8 Cg_endo -75.17 -54.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.072 -2.47 . . . . 0.0 110.91 0.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -76.84 107.8 9.42 Favored 'General case' 0 C--N 1.322 -0.615 0 O-C-N 124.719 1.262 . . . . 0.0 110.961 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.576 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 3.1 t-20 -48.12 -48.63 63.59 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.576 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.95 148.35 35.41 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.494 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.97 165.22 31.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.47 1.774 . . . . 0.0 111.06 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.2 mp -102.02 144.35 13.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.58 1.175 . . . . 0.0 109.23 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.469 ' HB3' ' CE ' ' A' ' 131' ' ' MET . 85.9 m -93.16 131.99 37.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.423 1.077 . . . . 0.0 108.235 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.408 ' CE2' ' HD3' ' A' ' 108' ' ' LYS . 0.3 OUTLIER -140.0 162.34 35.44 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.644 1.215 . . . . 0.0 110.921 -179.953 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 107' ' ' GLY . 8.7 m -120.81 157.37 23.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.285 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -128.98 91.56 42.33 Favored Pre-proline 0 N--CA 1.451 -0.375 0 O-C-N 124.454 1.096 . . . . 0.0 109.257 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -74.62 159.34 42.73 Favored 'Trans proline' 0 C--N 1.358 1.042 0 O-C-N 124.803 1.949 . . . . 0.0 111.161 179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.8 p -105.84 -152.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.697 1.248 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -103.79 -44.77 4.97 Favored 'General case' 0 C--N 1.328 -0.353 0 O-C-N 124.511 1.132 . . . . 0.0 109.969 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 t -59.19 -56.07 26.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 109.84 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.906 ' HB3' HG22 ' A' ' 141' ' ' VAL . 2.5 mpp? -78.47 -174.61 3.88 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.7 1.25 . . . . 0.0 110.821 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 97' ' ' ILE . 14.8 t -134.26 -158.11 0.86 Allowed 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.812 -1.086 . . . . 0.0 110.117 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 97' ' ' ILE . 1.0 OUTLIER -136.93 89.14 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 O-C-N 124.666 1.228 . . . . 0.0 109.378 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.454 ' HB2' ' CB ' ' A' ' 142' ' ' PHE . 0.1 OUTLIER -64.48 86.15 0.05 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.531 1.145 . . . . 0.0 109.254 -179.892 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 15.0 p -41.29 139.85 0.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.285 0.99 . . . . 0.0 110.308 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -137.34 -163.68 9.78 Favored Glycine 0 CA--C 1.529 0.91 0 CA-C-N 114.834 -1.075 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.13 -29.33 60.5 Favored 'General case' 0 N--CA 1.449 -0.513 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -109.7 -28.83 8.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.598 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.782 HG21 ' HB3' ' A' ' 140' ' ' PRO . 79.6 t -82.66 98.78 5.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 85.8 m-20 -74.84 -179.49 4.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.599 1.187 . . . . 0.0 109.283 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -81.56 -2.83 51.45 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.597 1.186 . . . . 0.0 109.45 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -109.87 18.08 20.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 114.758 -1.11 . . . . 0.0 109.346 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.792 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 57.54 38.49 87.67 Favored Glycine 0 CA--C 1.532 1.108 0 O-C-N 124.442 1.088 . . . . 0.0 110.786 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.408 ' HD3' ' CE2' ' A' ' 88' ' ' PHE . 0.9 OUTLIER -108.23 132.46 53.63 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.503 0.767 . . . . 0.0 109.397 -179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.518 HD11 ' CG1' ' A' ' 89' ' ' VAL . 28.9 mm -80.36 99.29 3.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.13 85.13 3.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.483 HD13 ' CD2' ' A' ' 114' ' ' LEU . 10.3 mt -100.45 108.75 54.52 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.534 1.146 . . . . 0.0 109.365 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 115' ' ' HIS . 18.4 Cg_endo -74.94 -5.43 16.79 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.566 1.824 . . . . 0.0 111.059 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -81.71 -55.44 4.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.439 1.087 . . . . 0.0 110.987 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.868 HD13 HD21 ' A' ' 127' ' ' LEU . 2.5 pp -81.57 -7.05 59.54 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.412 ' HB3' ' HA ' ' A' ' 112' ' ' PRO . 65.3 t60 -70.37 -46.33 64.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.584 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.31 9.87 16.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 110.322 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.413 ' CZ2' ' HB2' ' A' ' 121' ' ' GLN . 23.1 t90 -129.37 154.85 46.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.566 1.166 . . . . 0.0 107.952 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.6 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -166.99 104.97 0.56 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.378 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.608 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 63.01 165.37 0.11 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.539 1.15 . . . . 0.0 109.596 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.608 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -74.97 -52.37 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.177 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.027 -0.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.413 ' HB2' ' CZ2' ' A' ' 117' ' ' TRP . 1.3 mt-30 -47.06 -50.11 20.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.344 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.34 95.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.927 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 127' ' ' LEU . 4.9 m-20 -148.25 -176.97 5.5 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 109.249 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.451 HD23 HG21 ' A' ' 28' ' ' VAL . 2.8 mp -48.4 -38.17 18.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 109.272 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.505 ' N ' ' CD1' ' A' ' 125' ' ' LEU . 1.0 OUTLIER -69.72 -59.91 2.65 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.6 -15.6 33.67 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.137 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.868 HD21 HD13 ' A' ' 114' ' ' LEU . 16.7 mt -82.97 -53.97 5.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 0.775 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.9 mm -59.15 -16.61 9.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -70.12 -59.34 2.96 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.332 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.436 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -44.65 -43.19 2.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.331 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.541 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 35.6 mtt -64.88 -53.55 44.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.462 1.101 . . . . 0.0 111.042 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.425 HD11 ' OH ' ' A' ' 32' ' ' TYR . 4.0 mt -44.9 -31.26 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.236 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -93.33 -63.26 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.593 1.183 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 13.7 t -41.89 -42.73 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.289 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.541 ' CE1' ' HG2' ' A' ' 131' ' ' MET . 6.1 m-85 -89.11 -30.28 18.75 Favored 'General case' 0 N--CA 1.449 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 111.26 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -61.97 -28.6 70.64 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -87.65 -54.61 4.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 0.759 . . . . 0.0 109.314 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -148.45 118.65 4.2 Favored Pre-proline 0 N--CA 1.447 -0.608 0 O-C-N 124.776 1.297 . . . . 0.0 110.486 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.51 ' CG ' ' CD2' ' A' ' 63' ' ' TYR . 18.7 Cg_endo -74.56 145.34 33.17 Favored 'Trans proline' 0 C--N 1.356 0.965 0 O-C-N 124.4 1.737 . . . . 0.0 111.054 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.782 ' HB3' HG21 ' A' ' 103' ' ' VAL . 17.9 Cg_endo -75.43 -24.33 12.26 Favored 'Trans proline' 0 C--N 1.358 1.053 0 O-C-N 124.251 1.658 . . . . 0.0 110.801 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.906 HG22 ' HB3' ' A' ' 95' ' ' MET . 0.3 OUTLIER -53.29 -48.45 55.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 O-C-N 124.958 1.411 . . . . 0.0 109.437 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.538 ' O ' ' CB ' ' A' ' 143' ' ' SER . 1.4 t80 49.95 -139.65 0.85 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 111.1 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.538 ' CB ' ' O ' ' A' ' 142' ' ' PHE . 1.9 t 88.79 24.39 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.863 1.352 . . . . 0.0 110.083 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.3 85.29 55.51 Favored Pre-proline 0 C--N 1.322 -0.627 0 O-C-N 124.343 1.027 . . . . 0.0 110.392 -179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.357 1.019 0 O-C-N 124.605 1.845 . . . . 0.0 110.991 -179.916 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.188 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.559 ' O ' HG13 ' A' ' 3' ' ' VAL . 14.6 p -163.49 67.23 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 O-C-N 124.548 1.155 . . . . 0.0 109.094 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.7 m -86.42 146.09 26.58 Favored 'General case' 0 N--CA 1.452 -0.342 0 O-C-N 124.177 0.923 . . . . 0.0 110.392 179.614 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -46.79 -34.19 5.06 Favored 'General case' 0 C--N 1.32 -0.713 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -40.94 62.35 Favored 'General case' 0 C--N 1.328 -0.347 0 O-C-N 124.463 1.102 . . . . 0.0 109.925 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -68.64 -43.33 76.51 Favored 'General case' 0 C--N 1.316 -0.888 0 O-C-N 124.84 1.337 . . . . 0.0 110.283 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.593 ' O ' HG22 ' A' ' 12' ' ' VAL . 11.7 tp -58.82 -41.78 87.63 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.986 1.429 . . . . 0.0 109.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.489 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -68.11 -48.58 65.09 Favored 'General case' 0 N--CA 1.451 -0.416 0 O-C-N 124.404 1.065 . . . . 0.0 109.158 -179.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.76 -22.62 67.02 Favored 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.78 1.3 . . . . 0.0 109.375 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 13.7 mtt -78.04 -49.23 14.4 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.2 -0.909 . . . . 0.0 110.886 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 8' ' ' LEU . 17.3 m -99.87 20.12 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.596 1.185 . . . . 0.0 108.901 -179.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 0.3 OUTLIER -78.49 1.27 22.87 Favored 'General case' 0 N--CA 1.449 -0.513 0 O-C-N 124.215 0.947 . . . . 0.0 110.247 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 3.9 mmtm -98.64 -13.61 20.25 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 114.882 -1.054 . . . . 0.0 109.583 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.47 ' CE2' HG21 ' A' ' 21' ' ' THR . 3.0 m-30 -65.79 164.51 14.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.934 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -98.6 -39.29 8.78 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.487 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' LEU . 5.2 m-85 -101.48 36.27 2.07 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 124.425 1.078 . . . . 0.0 111.22 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' THR . 18.5 mtp180 -39.97 -71.04 0.09 Allowed 'General case' 0 N--CA 1.45 -0.449 0 O-C-N 124.759 1.287 . . . . 0.0 110.429 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 18' ' ' ARG . 3.2 m-20 -39.93 -32.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.688 1.242 . . . . 0.0 109.392 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -77.65 -50.91 11.51 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.643 1.214 . . . . 0.0 109.334 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.47 HG21 ' CE2' ' A' ' 15' ' ' TYR . 8.7 m -62.46 -27.84 69.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 110.411 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.6 t -77.25 -40.75 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.55 0 O-C-N 124.534 1.146 . . . . 0.0 109.494 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttt180 -61.07 -52.51 64.63 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.49 1.119 . . . . 0.0 110.391 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.798 ' O ' HG23 ' A' ' 28' ' ' VAL . 12.7 pt-20 -63.56 -40.35 96.77 Favored 'General case' 0 C--N 1.32 -0.679 0 O-C-N 124.515 1.134 . . . . 0.0 110.304 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.4 m -61.78 -38.81 89.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 110.324 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.481 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.4 OUTLIER -71.43 -45.96 66.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 109.407 -179.737 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.401 ' N ' ' CG1' ' A' ' 26' ' ' VAL . 41.4 t-20 -64.95 -52.28 57.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 114.868 -1.06 . . . . 0.0 109.285 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.798 HG23 ' O ' ' A' ' 24' ' ' GLU . 39.8 t -43.14 -62.38 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 32' ' ' TYR . 3.0 pt -62.01 -55.78 21.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 8.1 m -42.5 -46.12 4.7 Favored 'General case' 0 C--N 1.322 -0.59 0 O-C-N 124.574 1.171 . . . . 0.0 110.526 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.29 -44.84 78.27 Favored 'General case' 0 C--N 1.322 -0.62 0 O-C-N 124.633 1.208 . . . . 0.0 109.323 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.598 ' CZ ' ' CD1' ' A' ' 132' ' ' ILE . 38.0 m-85 -132.83 107.71 8.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.147 . . . . 0.0 111.027 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 mmmt -81.75 56.94 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -128.73 -46.99 1.27 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.926 1.391 . . . . 0.0 109.103 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.798 HD13 ' HA3' ' A' ' 57' ' ' GLY . 3.2 mm? -67.24 128.44 36.4 Favored 'General case' 0 C--N 1.319 -0.732 0 O-C-N 124.282 0.989 . . . . 0.0 109.289 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.26 139.08 20.69 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.625 1.203 . . . . 0.0 109.391 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -75.14 136.95 20.78 Favored 'Trans proline' 0 C--N 1.355 0.893 0 O-C-N 124.413 1.744 . . . . 0.0 110.903 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.08 157.89 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-N 115.208 -0.906 . . . . 0.0 109.364 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -122.91 116.11 23.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.081 . . . . 0.0 109.203 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -144.58 135.36 24.84 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.467 1.104 . . . . 0.0 109.024 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 59.8 p -100.58 159.07 15.46 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.577 1.173 . . . . 0.0 110.399 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 44.7 t80 -129.64 114.65 16.29 Favored 'General case' 0 C--N 1.32 -0.686 0 O-C-N 124.383 1.052 . . . . 0.0 110.934 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.422 ' H ' HG12 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -81.1 107.67 13.63 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.582 0 O-C-N 124.918 1.386 . . . . 0.0 109.505 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -82.07 162.45 22.54 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.637 1.21 . . . . 0.0 111.195 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -38.43 -41.09 0.62 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.208 0.943 . . . . 0.0 109.477 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -156.39 45.68 0.43 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.953 1.408 . . . . 0.0 109.382 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -128.67 2.86 6.51 Favored Glycine 0 CA--C 1.532 1.141 0 O-C-N 124.397 1.061 . . . . 0.0 110.943 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.402 ' C ' ' HA ' ' A' ' 43' ' ' VAL . 49.5 m 62.43 171.36 0.13 Allowed 'General case' 0 N--CA 1.45 -0.435 0 O-C-N 124.7 0.882 . . . . 0.0 109.983 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.2 m -77.04 80.7 3.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.908 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.489 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 3.1 mtt180 -61.63 123.47 18.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.94 -1.027 . . . . 0.0 110.115 179.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.622 ' C ' HD22 ' A' ' 52' ' ' LEU . 84.4 mt-10 -71.19 112.81 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.792 1.307 . . . . 0.0 110.4 179.543 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.622 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.9 mm? -132.95 149.35 52.25 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.836 -1.075 . . . . 0.0 109.595 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -102.14 124.56 47.95 Favored 'General case' 0 C--N 1.316 -0.86 0 O-C-N 124.495 1.122 . . . . 0.0 111.068 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -104.01 156.14 18.1 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.422 1.076 . . . . 0.0 109.301 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -116.11 100.89 8.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.175 -179.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.3 t -105.34 136.67 44.44 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.361 1.038 . . . . 0.0 110.457 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.798 ' HA3' HD13 ' A' ' 35' ' ' LEU . . . -163.5 174.51 39.74 Favored Glycine 0 CA--C 1.532 1.11 0 O-C-N 124.557 1.161 . . . . 0.0 110.92 -179.584 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.7 p -128.26 119.41 25.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.596 0.821 . . . . 0.0 110.182 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.558 HG23 ' HD2' ' A' ' 60' ' ' PRO . 10.3 mt -94.35 140.52 22.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 109.231 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.558 ' HD2' HG23 ' A' ' 59' ' ' ILE . 17.9 Cg_endo -74.92 128.97 11.98 Favored 'Trans proline' 0 C--N 1.358 1.071 0 O-C-N 124.251 1.658 . . . . 0.0 110.842 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.403 ' O ' HG12 ' A' ' 61' ' ' VAL . 6.4 t -125.84 97.38 35.82 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.416 1.072 . . . . 0.0 109.16 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -75.14 93.07 0.97 Allowed 'Trans proline' 0 C--N 1.363 1.311 0 O-C-N 124.697 1.893 . . . . 0.0 111.009 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.512 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 14.8 t80 -85.2 83.9 7.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.512 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.1 OUTLIER 84.95 -48.82 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.338 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -161.16 -36.19 0.02 OUTLIER Glycine 0 CA--C 1.531 1.09 0 O-C-N 124.456 1.097 . . . . 0.0 111.053 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.49 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.1 OUTLIER -83.16 146.65 28.52 Favored 'General case' 0 N--CA 1.451 -0.423 0 O-C-N 124.411 0.713 . . . . 0.0 109.497 179.681 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 92.6 m -108.54 136.62 47.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.184 0.927 . . . . 0.0 110.254 -179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.451 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.6 OUTLIER -109.59 162.63 14.22 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.503 1.127 . . . . 0.0 110.929 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 9.2 m-80 -111.18 68.01 0.65 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.616 1.198 . . . . 0.0 109.332 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 16.9 mm -52.25 107.52 0.86 Allowed Pre-proline 0 C--N 1.323 -0.556 0 O-C-N 124.606 1.191 . . . . 0.0 109.267 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 136.0 19.93 Favored 'Trans proline' 0 C--N 1.362 1.289 0 O-C-N 124.578 1.831 . . . . 0.0 111.09 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.0 pt -142.68 155.39 17.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.662 1.226 . . . . 0.0 109.036 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.5 t -140.0 139.35 36.0 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.479 1.112 . . . . 0.0 108.35 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -119.56 158.77 25.65 Favored 'General case' 0 N--CA 1.447 -0.6 0 O-C-N 124.983 1.427 . . . . 0.0 109.432 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 96.9 m95 -126.63 122.0 33.77 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.745 HD11 ' OE2' ' A' ' 24' ' ' GLU . 3.6 mm? -95.05 167.79 11.17 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.939 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -143.04 163.31 33.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.169 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.746 ' OD1' HG22 ' A' ' 79' ' ' THR . 2.4 p30 -81.2 -38.75 26.52 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.271 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.746 HG22 ' OD1' ' A' ' 78' ' ' ASP . 5.0 t -175.52 -34.16 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.418 1.074 . . . . 0.0 110.433 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.59 ' CG ' ' HA ' ' A' ' 81' ' ' PRO . 0.5 OUTLIER -99.9 170.22 7.02 Favored Pre-proline 0 C--N 1.323 -0.585 0 O-C-N 124.435 1.084 . . . . 0.0 111.085 179.915 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.59 ' HA ' ' CG ' ' A' ' 80' ' ' TYR . 18.6 Cg_endo -74.71 -35.21 3.0 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.091 -2.462 . . . . 0.0 111.358 -0.154 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.456 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 69.6 m-85 -95.67 -65.86 0.95 Allowed 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.099 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.939 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.6 m-20 160.36 -49.26 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.599 0 O-C-N 124.542 1.151 . . . . 0.0 109.106 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.563 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.5 Cg_endo -74.97 145.56 31.72 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.453 ' HD2' ' CH2' ' A' ' 117' ' ' TRP . 18.5 Cg_endo -74.96 168.81 24.0 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.508 1.794 . . . . 0.0 111.051 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.452 HG21 ' CE2' ' A' ' 88' ' ' PHE . 2.9 mt -104.76 160.24 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.085 . . . . 0.0 109.286 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.405 ' N ' HG22 ' A' ' 86' ' ' ILE . 68.3 m -121.95 134.08 54.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 108.249 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.452 ' CE2' HG21 ' A' ' 86' ' ' ILE . 17.0 m-85 -139.17 132.76 30.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.4 t -76.51 138.74 20.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.384 1.053 . . . . 0.0 109.541 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -105.8 112.48 64.43 Favored Pre-proline 0 C--N 1.323 -0.564 0 O-C-N 124.824 1.327 . . . . 0.0 109.261 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.568 ' HB3' HD12 ' A' ' 97' ' ' ILE . 19.0 Cg_endo -74.98 179.87 5.66 Favored 'Trans proline' 0 C--N 1.363 1.302 0 O-C-N 124.264 1.665 . . . . 0.0 110.817 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 24.9 p -136.94 163.52 30.5 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.871 -1.059 . . . . 0.0 110.551 179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.8 m -87.3 -32.43 19.68 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.425 1.078 . . . . 0.0 109.987 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -61.16 -41.35 96.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.722 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.586 ' HG3' HG12 ' A' ' 141' ' ' VAL . 0.0 OUTLIER -140.63 147.03 38.7 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.523 1.139 . . . . 0.0 111.039 179.831 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.458 ' OG1' ' N ' ' A' ' 97' ' ' ILE . 8.8 t -60.84 -161.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' A' ' 91' ' ' PRO . 13.3 tt -124.4 126.74 72.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.396 1.06 . . . . 0.0 108.962 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.498 ' CB ' ' O ' ' A' ' 140' ' ' PRO . 0.0 OUTLIER -79.8 104.7 10.56 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 114.922 -1.035 . . . . 0.0 109.106 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 49.8 p -83.24 143.1 30.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.335 1.022 . . . . 0.0 110.287 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -151.46 -128.2 1.43 Allowed Glycine 0 CA--C 1.533 1.199 0 O-C-N 124.471 1.107 . . . . 0.0 111.194 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -85.46 -62.22 1.58 Allowed 'General case' 0 N--CA 1.447 -0.597 0 O-C-N 124.746 0.909 . . . . 0.0 109.317 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.721 ' ND1' HG23 ' A' ' 103' ' ' VAL . 6.3 p80 -70.81 -48.77 52.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.574 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.721 HG23 ' ND1' ' A' ' 102' ' ' HIS . 39.5 t -74.51 94.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 124.59 1.181 . . . . 0.0 109.136 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.92 -168.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.535 1.147 . . . . 0.0 109.612 179.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -82.74 -19.1 38.57 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.739 1.274 . . . . 0.0 109.048 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -104.52 34.01 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.596 1.185 . . . . 0.0 109.202 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.412 ' HA3' HD13 ' A' ' 97' ' ' ILE . . . 44.22 53.84 6.51 Favored Glycine 0 CA--C 1.532 1.094 0 O-C-N 124.579 1.174 . . . . 0.0 110.939 179.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.2 tttt -117.8 149.24 41.13 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.646 0.851 . . . . 0.0 109.466 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 109' ' ' ILE . 8.4 mm -80.64 102.16 6.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 O-C-N 124.732 1.27 . . . . 0.0 109.268 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -110.23 50.41 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.574 HD23 ' HB3' ' A' ' 102' ' ' HIS . 30.4 mt -75.23 150.2 85.11 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -18.18 18.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.55 -28.41 37.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 111.025 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.23 -33.21 59.21 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.0 t60 -59.37 -50.56 73.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.434 1.084 . . . . 0.0 109.579 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -103.12 36.29 2.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 110.309 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 122' ' ' SER . 2.8 t90 -82.11 102.22 10.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.616 1.197 . . . . 0.0 108.015 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.574 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.3 OUTLIER -139.88 14.17 2.48 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.574 1.171 . . . . 0.0 109.26 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.574 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.63 163.48 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.586 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.564 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.08 -15.34 22.56 Favored 'Cis proline' 0 C--N 1.36 1.173 0 C-N-CA 121.009 -2.496 . . . . 0.0 110.99 0.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.4 OUTLIER -36.74 -66.53 0.22 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.537 1.148 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.576 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 15.3 t -93.42 164.08 13.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.573 1.171 . . . . 0.0 110.026 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 127' ' ' LEU . 0.0 OUTLIER -179.68 149.58 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.253 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.678 HD12 ' CG2' ' A' ' 28' ' ' VAL . 0.2 OUTLIER -40.23 -38.89 0.84 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.494 ' H ' HD22 ' A' ' 125' ' ' LEU . 1.9 mm? -68.27 -59.85 2.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.94 -20.36 40.97 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 111.009 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 123' ' ' ASP . 1.6 mm? -68.58 -53.7 21.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.639 HD12 ' O ' ' A' ' 124' ' ' LEU . 3.1 mp -69.49 -19.42 23.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.38 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -70.21 -56.31 7.12 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.37 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -54.27 -46.8 68.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.428 1.08 . . . . 0.0 109.326 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.564 ' HB3' ' CE2' ' A' ' 135' ' ' PHE . 43.0 mtt -57.88 -39.81 78.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.598 ' CD1' ' CZ ' ' A' ' 32' ' ' TYR . 1.9 mt -63.5 -30.35 49.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.333 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 134' ' ' VAL . 57.6 t -86.52 -64.8 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 133' ' ' VAL . 6.7 t -40.49 -50.54 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.564 ' CE2' ' HB3' ' A' ' 131' ' ' MET . 10.7 m-30 -76.96 -31.24 56.44 Favored 'General case' 0 N--CA 1.445 -0.72 0 O-C-N 124.558 1.162 . . . . 0.0 111.226 179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.53 -12.18 51.1 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.366 1.041 . . . . 0.0 110.995 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.66 -48.7 6.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -159.02 151.8 18.14 Favored Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.791 1.307 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.82 113.76 3.87 Favored 'Trans proline' 0 N--CA 1.454 -0.852 0 O-C-N 124.438 1.757 . . . . 0.0 110.996 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.498 ' O ' ' CB ' ' A' ' 98' ' ' LYS . 17.9 Cg_endo -75.47 -0.03 9.64 Favored 'Trans proline' 0 C--N 1.355 0.906 0 O-C-N 124.434 1.755 . . . . 0.0 110.967 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.586 HG12 ' HG3' ' A' ' 95' ' ' MET . 57.6 t -86.73 -71.77 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 O-C-N 124.269 0.981 . . . . 0.0 109.2 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 14.9 t80 58.13 173.59 0.06 Allowed 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.224 0.952 . . . . 0.0 110.923 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -120.82 41.92 3.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.706 1.254 . . . . 0.0 109.892 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.416 ' HB3' HG21 ' A' ' 96' ' ' THR . 6.6 ttm180 -39.0 99.44 0.19 Allowed Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 110.284 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.448 -1.195 0 O-C-N 124.65 1.869 . . . . 0.0 110.966 179.922 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.623 HG12 ' O ' ' A' ' 3' ' ' VAL . 97.1 t -81.88 51.45 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 O-C-N 125.078 1.486 . . . . 0.0 109.139 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.424 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.1 OUTLIER 80.68 166.31 0.16 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.33 1.019 . . . . 0.0 109.795 179.543 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -53.66 -37.22 62.94 Favored 'General case' 0 C--N 1.321 -0.658 0 O-C-N 124.97 1.419 . . . . 0.0 110.323 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -48.98 -42.06 36.43 Favored 'General case' 0 C--N 1.319 -0.728 0 O-C-N 124.425 1.078 . . . . 0.0 109.7 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -70.82 -43.26 68.96 Favored 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.192 0.933 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.653 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -55.97 -36.42 67.82 Favored 'General case' 0 C--N 1.318 -0.771 0 O-C-N 124.808 1.317 . . . . 0.0 109.284 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.559 ' HA ' HG22 ' A' ' 12' ' ' VAL . 31.5 mttt -78.83 -29.45 44.69 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.529 1.143 . . . . 0.0 109.192 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.47 -46.96 62.78 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 109.419 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.758 ' HG3' HG13 ' A' ' 12' ' ' VAL . 23.0 ptp -62.47 -36.32 82.09 Favored 'General case' 0 C--O 1.221 -0.443 0 O-C-N 124.848 1.343 . . . . 0.0 110.994 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.758 HG13 ' HG3' ' A' ' 11' ' ' MET . 24.2 m -90.12 -3.72 10.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 O-C-N 124.708 1.255 . . . . 0.0 108.906 -179.486 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.9 t -61.73 -36.21 80.32 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.035 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -79.84 -35.96 37.49 Favored 'General case' 0 C--N 1.328 -0.362 0 O-C-N 124.267 0.979 . . . . 0.0 109.096 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.594 ' CD2' HG21 ' A' ' 21' ' ' THR . 1.0 OUTLIER -51.19 111.17 0.52 Allowed 'General case' 0 C--N 1.322 -0.626 0 O-C-N 124.659 1.224 . . . . 0.0 111.04 -179.684 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.46 ' HD3' ' CE1' ' A' ' 17' ' ' TYR . 36.8 tttt -45.42 -64.04 0.81 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.047 -179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.46 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 17.9 m-30 -80.14 52.63 1.58 Allowed 'General case' 0 C--N 1.32 -0.713 0 O-C-N 125.117 1.511 . . . . 0.0 110.983 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.06 -52.68 61.8 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.325 1.016 . . . . 0.0 110.016 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -51.72 -37.4 50.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.374 1.046 . . . . 0.0 109.315 -179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -52.84 8.65 Favored 'General case' 0 C--N 1.319 -0.752 0 O-C-N 124.859 1.35 . . . . 0.0 109.233 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.594 HG21 ' CD2' ' A' ' 15' ' ' TYR . 16.8 m -53.8 -42.69 68.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.387 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 24.5 t -66.47 -39.85 85.04 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.608 0 O-C-N 124.536 1.148 . . . . 0.0 109.679 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ttt85 -59.79 -52.03 67.2 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.417 1.073 . . . . 0.0 110.177 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.743 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -67.84 -35.28 78.31 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.039 -0.982 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 9.0 m -64.45 -43.95 92.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.444 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.592 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -72.03 -42.46 68.06 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.361 0 CA-C-N 114.889 -1.051 . . . . 0.0 109.365 -179.868 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.463 ' O ' ' N ' ' A' ' 31' ' ' LEU . 7.7 m-80 -63.97 -49.88 70.77 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.189 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.743 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.7 t -49.57 -71.41 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.541 1.151 . . . . 0.0 109.295 -179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.592 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.8 pt -43.57 -54.0 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.235 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 4.2 m -53.92 -42.37 68.68 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.541 1.151 . . . . 0.0 110.059 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.463 ' N ' ' O ' ' A' ' 27' ' ' ASN . 0.1 OUTLIER -52.48 -43.62 65.12 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.669 1.23 . . . . 0.0 109.33 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.775 ' CZ ' HG21 ' A' ' 59' ' ' ILE . 22.6 m-85 -104.17 -175.16 2.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 34' ' ' ASP . 51.6 mmtt -141.02 51.74 1.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.883 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 33' ' ' LYS . 4.9 m-20 173.54 52.28 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.22 0.95 . . . . 0.0 109.416 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.54 HD22 HG12 ' A' ' 28' ' ' VAL . 1.5 mp -118.12 152.03 36.41 Favored 'General case' 0 C--O 1.222 -0.391 0 O-C-N 124.434 1.084 . . . . 0.0 109.599 179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.47 110.53 5.81 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.202 -179.636 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.45 134.92 17.64 Favored 'Trans proline' 0 C--N 1.355 0.888 0 O-C-N 124.556 1.819 . . . . 0.0 110.762 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.9 t -121.2 162.68 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 109.325 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.762 HD21 ' HG2' ' A' ' 51' ' ' GLU . 2.3 tm? -137.43 108.08 6.59 Favored 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.608 1.193 . . . . 0.0 108.861 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -127.84 132.44 49.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.59 1.181 . . . . 0.0 109.314 179.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 98.6 p -107.28 148.82 28.49 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 114.974 -1.012 . . . . 0.0 110.213 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.7 t80 -131.05 119.55 22.15 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.35 1.031 . . . . 0.0 110.868 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 45' ' ' ASN . 2.5 p -82.95 136.46 22.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 O-C-N 124.997 1.436 . . . . 0.0 109.225 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' HB2' ' CA ' ' A' ' 47' ' ' GLY . 9.8 m-85 -91.15 26.5 2.15 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.918 -1.037 . . . . 0.0 110.771 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.737 ' H ' HG22 ' A' ' 43' ' ' VAL . 1.2 m120 38.76 32.31 0.06 Allowed 'General case' 0 N--CA 1.443 -0.793 0 O-C-N 124.23 0.956 . . . . 0.0 109.611 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 44' ' ' PHE . 6.2 m-20 165.76 -32.93 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.346 0 O-C-N 124.595 1.184 . . . . 0.0 109.043 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 44' ' ' PHE . . . -87.47 19.43 32.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.79 1.306 . . . . 0.0 111.086 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 58.1 m 65.19 174.77 0.21 Allowed 'General case' 0 C--N 1.319 -0.741 0 O-C-N 124.38 0.694 . . . . 0.0 109.883 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.1 p -85.47 112.76 21.19 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.793 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 14.9 mtt180 -97.92 114.96 27.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.365 1.041 . . . . 0.0 110.404 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.762 ' HG2' HD21 ' A' ' 39' ' ' LEU . 6.9 tt0 -83.45 113.5 20.81 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.548 1.155 . . . . 0.0 110.231 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.573 ' O ' HD22 ' A' ' 39' ' ' LEU . 3.2 mm? -119.78 148.05 43.9 Favored 'General case' 0 N--CA 1.447 -0.62 0 CA-C-N 115.11 -0.95 . . . . 0.0 109.384 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.2 ptm -115.5 133.0 56.45 Favored 'General case' 0 C--N 1.318 -0.796 0 O-C-N 124.759 1.287 . . . . 0.0 111.102 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.9 p30 -117.61 144.16 45.43 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.512 1.132 . . . . 0.0 109.373 179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 17.3 mt -109.07 115.83 30.8 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.434 1.084 . . . . 0.0 109.374 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 t -122.19 142.71 50.14 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.706 1.254 . . . . 0.0 110.303 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -175.49 170.66 43.72 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.477 1.111 . . . . 0.0 110.966 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 37.4 p -121.02 118.2 29.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 0.0 110.382 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.775 HG21 ' CZ ' ' A' ' 32' ' ' TYR . 7.6 pt -92.28 150.94 41.05 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.466 1.103 . . . . 0.0 109.098 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.25 147.13 32.61 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.391 1.732 . . . . 0.0 110.815 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.635 HG21 HD12 ' A' ' 70' ' ' ILE . 2.4 t -149.85 110.01 3.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.434 -179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.47 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -74.67 95.36 0.95 Allowed 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.578 1.83 . . . . 0.0 111.071 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.542 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.8 t80 -88.62 82.97 6.77 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.558 1.162 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.542 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 4.2 mmm180 88.06 -32.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.271 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 169.87 -30.78 0.15 Allowed Glycine 0 CA--C 1.528 0.876 0 O-C-N 124.48 1.112 . . . . 0.0 111.072 -179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.47 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -77.45 152.97 33.99 Favored 'General case' 0 N--CA 1.45 -0.429 0 O-C-N 124.276 0.633 . . . . 0.0 109.712 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.6 m -92.96 118.09 30.77 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.181 0.926 . . . . 0.0 110.463 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 1.4 t80 -102.37 150.29 23.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.856 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -120.05 86.94 2.65 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.635 HD12 HG21 ' A' ' 61' ' ' VAL . 9.3 mt -84.37 123.54 74.78 Favored Pre-proline 0 C--N 1.32 -0.692 0 O-C-N 124.38 1.05 . . . . 0.0 109.309 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.609 ' O ' HG23 ' A' ' 72' ' ' ILE . 18.7 Cg_endo -75.05 156.04 42.74 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.591 1.838 . . . . 0.0 111.244 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.609 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.7 pp -157.66 133.78 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 O-C-N 124.734 1.272 . . . . 0.0 109.601 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.569 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 0.8 OUTLIER -114.86 153.68 30.02 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 124.552 1.158 . . . . 0.0 108.06 -179.468 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.83 125.86 12.08 Favored 'General case' 0 C--N 1.322 -0.63 0 O-C-N 125.004 1.44 . . . . 0.0 109.319 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.678 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 50.9 m95 -97.42 143.77 27.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.509 1.13 . . . . 0.0 108.042 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.607 HD22 ' C ' ' A' ' 75' ' ' TRP . 1.6 mm? -113.88 179.44 3.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.416 1.073 . . . . 0.0 109.308 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.812 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.24 -179.05 6.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.232 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.581 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 0.9 OUTLIER -112.03 -32.08 6.69 Favored 'General case' 0 C--N 1.321 -0.668 0 O-C-N 124.669 1.231 . . . . 0.0 109.172 -179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.432 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 173.81 -33.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.654 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.473 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -152.65 165.36 17.72 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.897 -179.865 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.473 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.7 Cg_endo -74.75 -56.79 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.185 0 C-N-CA 120.964 -2.515 . . . . 0.0 111.077 -0.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.402 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 10.9 m-85 -67.16 102.74 1.08 Allowed 'General case' 0 C--N 1.321 -0.645 0 O-C-N 124.639 1.212 . . . . 0.0 111.073 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.653 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 0.8 OUTLIER -59.09 -43.64 97.57 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.599 1.187 . . . . 0.0 109.299 -179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.653 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.0 Cg_endo -75.03 140.08 24.96 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.483 1.78 . . . . 0.0 110.961 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CZ3' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.08 165.52 31.02 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.419 1.747 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.6 mp -103.97 148.48 8.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.27 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 114' ' ' LEU . 84.7 m -124.59 133.55 53.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 108.325 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.678 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 7.1 p90 -166.55 149.74 6.99 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.519 1.137 . . . . 0.0 111.032 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.544 HG23 ' O ' ' A' ' 71' ' ' PRO . 11.1 p -87.9 147.74 5.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.442 1.089 . . . . 0.0 109.221 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.87 128.63 47.29 Favored Pre-proline 0 C--N 1.323 -0.583 0 O-C-N 124.557 1.161 . . . . 0.0 109.466 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -74.81 144.8 31.42 Favored 'Trans proline' 0 C--N 1.355 0.902 0 O-C-N 124.872 1.985 . . . . 0.0 111.081 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 11.5 p -117.34 -179.13 3.63 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.423 1.077 . . . . 0.0 110.322 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 54.9 p -81.21 -38.69 26.6 Favored 'General case' 0 N--CA 1.451 -0.395 0 O-C-N 124.394 1.058 . . . . 0.0 109.935 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.0 m -87.74 -53.32 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.403 1.065 . . . . 0.0 109.942 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.439 ' HB3' ' CG2' ' A' ' 141' ' ' VAL . 18.7 mtm -86.12 165.26 16.73 Favored 'General case' 0 C--N 1.327 -0.388 0 O-C-N 124.562 1.164 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.573 HG22 ' HA ' ' A' ' 143' ' ' SER . 14.3 t -137.74 -153.42 0.48 Allowed 'General case' 0 C--N 1.321 -0.651 0 O-C-N 124.634 1.208 . . . . 0.0 110.666 179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.613 HG21 ' HA2' ' A' ' 107' ' ' GLY . 17.8 mt -132.22 114.38 23.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.404 1.065 . . . . 0.0 109.628 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.38 96.64 3.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.54 1.15 . . . . 0.0 109.118 -179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.0 p -54.74 135.9 46.75 Favored 'General case' 0 N--CA 1.449 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 110.24 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.28 -136.52 2.21 Favored Glycine 0 CA--C 1.527 0.792 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.927 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.2 mmtt -86.27 -61.01 1.84 Allowed 'General case' 0 N--CA 1.451 -0.393 0 N-CA-C 109.219 -0.66 . . . . 0.0 109.219 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -78.83 -33.9 45.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.661 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.402 HG21 ' HB3' ' A' ' 140' ' ' PRO . 60.6 t -89.29 86.67 2.64 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 O-C-N 124.414 1.071 . . . . 0.0 109.177 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -62.87 -159.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.659 1.224 . . . . 0.0 109.471 179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -85.34 -17.34 37.09 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.261 0.976 . . . . 0.0 109.246 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -101.51 29.14 5.0 Favored 'General case' 0 C--N 1.328 -0.365 0 O-C-N 124.461 1.101 . . . . 0.0 109.417 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.613 ' HA2' HG21 ' A' ' 97' ' ' ILE . . . 43.03 26.91 0.54 Allowed Glycine 0 CA--C 1.531 1.083 0 O-C-N 124.574 1.171 . . . . 0.0 111.171 -179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.446 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 2.4 ttpp -84.9 144.9 28.08 Favored 'General case' 0 N--CA 1.448 -0.575 0 O-C-N 124.381 0.695 . . . . 0.0 109.153 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.74 ' CG2' HD12 ' A' ' 111' ' ' LEU . 19.6 mm -82.47 98.34 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -92.89 29.68 1.76 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 110.993 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.74 HD12 ' CG2' ' A' ' 109' ' ' ILE . 20.6 mt -52.2 153.78 4.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -19.11 18.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -78.64 -44.55 23.56 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.467 1.105 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.499 HD11 ' SG ' ' A' ' 87' ' ' CYS . 2.0 tt -66.84 -43.3 84.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -60.52 -38.59 84.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 109.613 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -102.47 32.77 3.42 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.219 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.575 ' CD1' ' HB3' ' A' ' 122' ' ' SER . 4.4 t90 -83.81 109.2 17.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 108.066 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -120.07 74.93 1.06 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.138 . . . . 0.0 109.279 -179.942 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.538 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -41.62 162.19 0.13 Allowed Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.468 1.105 . . . . 0.0 109.611 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.538 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.98 1.88 15.34 Favored 'Cis proline' 0 C--N 1.359 1.104 0 C-N-CA 121.001 -2.5 . . . . 0.0 111.053 0.037 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.444 ' N ' ' HA ' ' A' ' 119' ' ' HIS . 37.9 mm-40 -34.65 -65.58 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.358 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.575 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -93.03 162.41 14.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.992 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -158.93 158.79 34.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.279 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 24' ' ' GLU . 6.3 mp -45.01 -51.4 9.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.529 1.143 . . . . 0.0 109.245 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.554 ' H ' HD22 ' A' ' 125' ' ' LEU . 1.6 mm? -51.3 -55.09 20.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.396 1.06 . . . . 0.0 109.268 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.83 -43.14 99.59 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.49 1.119 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.88 -62.46 1.77 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.493 0.761 . . . . 0.0 109.292 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.435 HG23 ' OH ' ' A' ' 32' ' ' TYR . 26.2 mm -45.1 -26.74 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.04 -59.15 5.88 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.446 1.091 . . . . 0.0 110.279 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.4 OUTLIER -51.06 -46.69 31.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.574 1.171 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.594 ' O ' ' CD2' ' A' ' 135' ' ' PHE . 9.7 mtt -61.72 -30.42 70.75 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.117 . . . . 0.0 111.005 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 4.7 mt -71.08 -31.49 44.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.329 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 99.6 t -88.44 -61.43 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 46.6 t -40.61 -49.1 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.23 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 131' ' ' MET . 10.8 m-30 -79.56 -31.98 42.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 111.022 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -58.12 -21.23 45.68 Favored Glycine 0 CA--C 1.53 1.031 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.964 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 138' ' ' GLU . 0.3 OUTLIER -95.82 -50.13 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 0.794 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . 0.407 ' CG ' ' O ' ' A' ' 137' ' ' ASP . 9.6 mt-10 -164.72 127.65 1.63 Allowed Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.594 1.184 . . . . 0.0 110.446 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.476 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 18.4 Cg_endo -75.04 150.46 38.01 Favored 'Trans proline' 0 C--N 1.362 1.244 0 O-C-N 124.503 1.791 . . . . 0.0 110.964 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 139' ' ' PRO . 18.7 Cg_endo -74.79 -32.34 5.8 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.585 1.834 . . . . 0.0 111.17 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 142' ' ' PHE . 1.2 p -55.98 165.65 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 O-C-N 124.869 1.356 . . . . 0.0 109.322 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.626 ' CG ' ' N ' ' A' ' 143' ' ' SER . 0.4 OUTLIER 172.7 -86.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.397 1.061 . . . . 0.0 111.139 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.626 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.3 OUTLIER 171.78 36.92 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.78 1.3 . . . . 0.0 109.968 -179.875 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.429 ' N ' HG21 ' A' ' 96' ' ' THR . 0.1 OUTLIER 66.53 140.33 0.06 OUTLIER Pre-proline 0 N--CA 1.452 -0.345 0 O-C-N 124.582 1.176 . . . . 0.0 110.345 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.362 1.273 0 O-C-N 124.5 1.79 . . . . 0.0 111.014 179.841 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.446 ' O ' ' CB ' ' A' ' 7' ' ' GLN . 23.4 m -90.61 -5.96 10.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 114.701 -1.136 . . . . 0.0 109.412 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER 77.46 153.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.411 1.07 . . . . 0.0 110.002 179.732 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -66.26 -25.8 67.05 Favored 'General case' 0 C--N 1.32 -0.694 0 O-C-N 124.588 1.18 . . . . 0.0 110.254 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.6 -40.21 80.55 Favored 'General case' 0 C--N 1.322 -0.623 0 O-C-N 124.651 1.219 . . . . 0.0 110.037 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.446 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 4.1 tp60 -80.78 -38.14 29.07 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.943 -1.026 . . . . 0.0 110.577 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.461 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.5 OUTLIER -57.65 -45.88 84.91 Favored 'General case' 0 C--N 1.319 -0.746 0 O-C-N 124.741 1.276 . . . . 0.0 109.4 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' SER . 7.6 mttt -71.36 -62.29 1.46 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 114.677 -1.147 . . . . 0.0 108.95 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -45.45 -29.37 1.1 Allowed 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 114.965 -1.016 . . . . 0.0 109.37 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.3 ttm -69.44 -49.62 53.38 Favored 'General case' 0 C--N 1.319 -0.725 0 O-C-N 124.664 1.228 . . . . 0.0 110.735 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.528 HG21 ' CG2' ' A' ' 22' ' ' VAL . 34.7 m -97.62 20.16 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 O-C-N 124.404 1.065 . . . . 0.0 109.459 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.443 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.4 m -82.31 -35.96 27.43 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.595 -179.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.21 -34.82 42.55 Favored 'General case' 0 N--CA 1.446 -0.626 0 O-C-N 124.226 0.954 . . . . 0.0 109.336 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.46 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 4.9 m-85 -54.71 166.41 0.48 Allowed 'General case' 0 N--CA 1.449 -0.517 0 O-C-N 124.497 1.123 . . . . 0.0 111.276 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.41 -53.27 3.04 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.394 1.059 . . . . 0.0 109.344 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.458 ' O ' ' N ' ' A' ' 20' ' ' LEU . 0.1 OUTLIER -90.45 36.9 0.89 Allowed 'General case' 0 N--CA 1.448 -0.546 0 O-C-N 124.329 1.018 . . . . 0.0 111.021 -179.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.409 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 17.9 ptt180 -42.73 -33.75 0.79 Allowed 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.693 1.246 . . . . 0.0 110.337 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 0.2 OUTLIER -66.37 -46.31 77.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.593 1.183 . . . . 0.0 109.135 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -70.38 -33.93 71.98 Favored 'General case' 0 C--N 1.319 -0.759 0 O-C-N 124.714 1.259 . . . . 0.0 109.209 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.938 HG23 HD23 ' A' ' 76' ' ' LEU . 22.4 m -72.19 -51.55 20.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.458 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.528 ' CG2' HG21 ' A' ' 12' ' ' VAL . 15.5 t -58.86 -41.59 83.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 O-C-N 124.547 1.155 . . . . 0.0 109.666 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.7 ttt-85 -59.93 -52.67 64.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 110.382 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.648 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.0 OUTLIER -59.37 -38.44 80.47 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.339 1.025 . . . . 0.0 110.364 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 1.2 m -67.28 -37.51 83.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.345 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -70.09 -42.6 79.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.116 -179.643 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.469 ' OD1' HD11 ' A' ' 125' ' ' LEU . 3.8 t-20 -67.59 -54.03 23.2 Favored 'General case' 0 N--CA 1.45 -0.473 0 O-C-N 124.657 1.223 . . . . 0.0 109.164 -179.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 24' ' ' GLU . 23.5 t -42.01 -60.87 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 O-C-N 124.558 1.161 . . . . 0.0 109.364 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.0 pt -61.94 -56.21 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.539 1.149 . . . . 0.0 109.246 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.474 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.5 m -42.75 -44.91 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 110.345 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.671 HD23 ' CE2' ' A' ' 32' ' ' TYR . 0.8 OUTLIER -69.38 -44.99 70.38 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.756 1.285 . . . . 0.0 109.37 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.671 ' CE2' HD23 ' A' ' 31' ' ' LEU . 41.2 m-85 -127.57 113.71 16.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 111.1 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -85.16 57.77 4.64 Favored 'General case' 0 N--CA 1.45 -0.463 0 O-C-N 124.333 1.021 . . . . 0.0 109.548 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -140.74 -47.07 0.41 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.58 1.175 . . . . 0.0 109.342 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.803 HD11 HD11 ' A' ' 59' ' ' ILE . 6.2 mp -63.19 126.3 26.92 Favored 'General case' 0 C--N 1.329 -0.289 0 O-C-N 124.612 1.195 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.434 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -108.35 130.44 22.77 Favored Pre-proline 0 N--CA 1.449 -0.491 0 O-C-N 124.417 1.073 . . . . 0.0 109.644 179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.556 ' HA ' HD23 ' A' ' 55' ' ' LEU . 20.4 Cg_endo -74.42 135.94 20.97 Favored 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.367 1.719 . . . . 0.0 111.272 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 t -130.88 159.41 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.678 1.236 . . . . 0.0 109.273 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.837 HD13 ' O ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -136.05 104.2 5.61 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.535 1.147 . . . . 0.0 109.449 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -126.31 145.78 50.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.335 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.4 p -106.25 155.87 19.05 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.577 1.173 . . . . 0.0 109.894 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -147.52 161.71 40.54 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.545 1.153 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' O ' ' N ' ' A' ' 45' ' ' ASN . 0.9 OUTLIER -98.55 121.85 49.58 Favored 'Isoleucine or valine' 0 C--O 1.239 0.509 0 O-C-N 124.418 1.073 . . . . 0.0 109.604 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.404 ' O ' ' CB ' ' A' ' 45' ' ' ASN . 6.7 m-85 -66.59 69.3 0.07 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.79 1.306 . . . . 0.0 111.381 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 43' ' ' VAL . 4.8 t-20 75.57 -49.41 0.62 Allowed 'General case' 0 CA--C 1.535 0.399 0 O-C-N 124.649 1.218 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 47' ' ' GLY . 1.3 t70 179.01 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 125.011 1.444 . . . . 0.0 109.215 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.455 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -33.02 -59.81 0.45 Allowed Glycine 0 CA--C 1.531 1.072 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.866 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 42.3 p -176.21 174.2 2.05 Favored 'General case' 0 C--N 1.322 -0.629 0 O-C-N 124.56 0.8 . . . . 0.0 109.804 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.9 p -91.39 153.57 19.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.349 1.031 . . . . 0.0 110.181 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.9 148.42 31.78 Favored 'General case' 0 C--N 1.321 -0.632 0 O-C-N 124.457 1.098 . . . . 0.0 110.044 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.765 ' C ' HD22 ' A' ' 52' ' ' LEU . 4.0 mt-10 -101.51 123.61 45.84 Favored 'General case' 0 N--CA 1.448 -0.553 0 O-C-N 124.807 1.317 . . . . 0.0 110.413 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.765 HD22 ' C ' ' A' ' 51' ' ' GLU . 3.9 mm? -133.41 154.87 50.41 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.452 1.095 . . . . 0.0 109.433 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 6.3 ttm -103.14 119.96 39.81 Favored 'General case' 0 C--N 1.318 -0.786 0 O-C-N 124.739 1.274 . . . . 0.0 111.038 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -106.56 124.92 50.33 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 37' ' ' PRO . 4.4 mt -98.11 116.34 30.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.54 1.15 . . . . 0.0 109.452 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.6 t -122.06 132.98 54.78 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.475 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . -159.01 177.26 35.65 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.427 1.079 . . . . 0.0 111.076 179.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 3.2 p -119.92 119.08 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.504 0.767 . . . . 0.0 110.441 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.803 HD11 HD11 ' A' ' 35' ' ' LEU . 3.7 mp -102.07 139.58 20.42 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.596 1.185 . . . . 0.0 108.995 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.634 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.4 Cg_endo -74.87 130.79 13.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.48 1.779 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.718 ' O ' HG12 ' A' ' 61' ' ' VAL . 2.5 t -123.13 81.82 51.51 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.606 1.191 . . . . 0.0 109.062 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.4 Cg_endo -75.07 133.19 16.2 Favored 'Trans proline' 0 C--N 1.364 1.377 0 O-C-N 124.667 1.877 . . . . 0.0 111.096 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -178.89 39.62 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.51 1.131 . . . . 0.0 111.035 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.8 34.85 0.0 OUTLIER 'General case' 0 N--CA 1.447 -0.594 0 O-C-N 124.449 1.093 . . . . 0.0 110.32 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.22 -20.27 17.84 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 61.8 m-20 -128.99 179.57 5.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 0.776 . . . . 0.0 109.014 -179.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 t -115.11 141.24 48.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.391 1.057 . . . . 0.0 110.785 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.478 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.2 OUTLIER -90.06 175.12 7.29 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.403 1.064 . . . . 0.0 110.893 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -125.79 71.6 1.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.409 1.068 . . . . 0.0 109.297 -179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.621 HG21 ' HD2' ' A' ' 135' ' ' PHE . 29.5 mt -90.75 113.12 56.82 Favored Pre-proline 0 N--CA 1.452 -0.329 0 O-C-N 124.678 1.236 . . . . 0.0 109.285 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 57' ' ' GLY . 18.3 Cg_endo -74.92 162.92 36.48 Favored 'Trans proline' 0 N--CA 1.45 -1.048 0 O-C-N 124.349 1.71 . . . . 0.0 110.791 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.622 HG12 HD13 ' A' ' 59' ' ' ILE . 2.1 pp -153.05 134.47 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 16.8 t -112.78 148.7 34.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 108.38 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.466 HD23 HD12 ' A' ' 76' ' ' LEU . 1.7 tt -140.54 121.82 14.91 Favored 'General case' 0 N--CA 1.447 -0.622 0 O-C-N 124.451 1.094 . . . . 0.0 109.362 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.474 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 96.1 m95 -93.43 135.21 34.9 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.938 HD23 HG23 ' A' ' 21' ' ' THR . 7.5 mp -105.69 177.58 4.81 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.009 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -150.14 172.95 14.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.353 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -87.31 -36.85 17.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.498 1.124 . . . . 0.0 109.221 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.408 ' O ' ' OD1' ' A' ' 83' ' ' ASN . 0.6 OUTLIER -178.33 -32.8 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.504 1.128 . . . . 0.0 110.317 179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.558 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 0.8 OUTLIER -102.08 169.2 7.92 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.628 1.205 . . . . 0.0 111.042 179.745 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.558 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.0 Cg_endo -74.94 -36.07 2.71 Favored 'Cis proline' 0 C--N 1.36 1.144 0 C-N-CA 120.969 -2.513 . . . . 0.0 110.928 -0.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.433 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 20.8 m-85 -91.69 -69.48 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.351 1.032 . . . . 0.0 110.856 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.009 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.3 m-20 161.08 -50.39 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.545 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.03 154.18 42.16 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.507 1.793 . . . . 0.0 110.944 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.474 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.0 168.1 25.58 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.506 1.792 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 2.5 mp -104.38 139.33 25.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.443 ' CB ' ' HB ' ' A' ' 109' ' ' ILE . 61.6 m -82.72 136.81 34.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 108.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -147.95 169.5 19.73 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.62 1.2 . . . . 0.0 110.868 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 107' ' ' GLY . 9.0 p -125.64 151.77 31.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.012 -0.995 . . . . 0.0 109.223 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -119.4 90.17 41.85 Favored Pre-proline 0 C--N 1.323 -0.584 0 O-C-N 124.717 1.261 . . . . 0.0 109.24 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.12 140.03 24.65 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.213 1.638 . . . . 0.0 111.1 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 31.0 p -97.0 -174.02 2.85 Favored 'General case' 0 N--CA 1.448 -0.531 0 O-C-N 124.676 1.235 . . . . 0.0 110.246 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -84.01 -49.13 9.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.338 1.024 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -55.89 -42.83 76.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.927 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.461 ' HG2' ' CG1' ' A' ' 141' ' ' VAL . 0.8 OUTLIER -93.99 -179.41 4.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 111.136 179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.569 HG21 ' HB2' ' A' ' 143' ' ' SER . 10.2 t -128.45 -158.32 0.87 Allowed 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.471 1.107 . . . . 0.0 110.711 179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.447 ' N ' ' OG1' ' A' ' 96' ' ' THR . 0.7 OUTLIER -131.9 141.61 45.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.17 . . . . 0.0 109.191 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 142' ' ' PHE . 3.6 tttm -99.24 75.55 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 28.3 p -46.66 136.74 7.54 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.561 1.163 . . . . 0.0 110.43 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -162.76 -136.61 2.02 Favored Glycine 0 CA--C 1.527 0.836 0 O-C-N 124.56 1.162 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.74 -32.84 11.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 112' ' ' PRO . 4.7 m-70 -103.63 -27.71 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.363 1.039 . . . . 0.0 109.511 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -80.58 -21.87 11.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.386 1.054 . . . . 0.0 109.411 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 47.82 -161.19 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.72 1.262 . . . . 0.0 109.475 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.5 -24.49 13.43 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.811 1.319 . . . . 0.0 109.374 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -102.94 29.73 5.24 Favored 'General case' 0 CA--C 1.533 0.319 0 O-C-N 124.53 1.144 . . . . 0.0 109.108 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.883 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 43.1 52.25 5.89 Favored Glycine 0 CA--C 1.534 1.225 0 O-C-N 124.588 1.18 . . . . 0.0 110.998 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 1.5 ttpt -113.79 114.91 26.96 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.756 0.915 . . . . 0.0 109.393 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.715 ' CG2' HD12 ' A' ' 111' ' ' LEU . 12.6 mm -54.23 96.04 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.646 0 O-C-N 124.504 1.128 . . . . 0.0 109.155 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -90.46 31.57 1.02 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.5 1.125 . . . . 0.0 110.983 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.715 HD12 ' CG2' ' A' ' 109' ' ' ILE . 29.8 mt -52.53 118.9 13.95 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.359 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.505 ' HD3' ' CE1' ' A' ' 102' ' ' HIS . 18.2 Cg_endo -75.03 -16.41 20.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.482 1.78 . . . . 0.0 111.037 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.419 ' O ' ' N ' ' A' ' 117' ' ' TRP . 4.5 m-85 -85.82 -59.73 2.22 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.588 HD11 ' HG ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -46.0 -38.64 8.01 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -60.72 -51.63 68.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.597 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -102.67 36.8 2.08 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.563 1.164 . . . . 0.0 110.261 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.512 ' CE2' ' HB2' ' A' ' 122' ' ' SER . 10.5 t90 -100.83 -103.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.585 1.178 . . . . 0.0 107.996 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 117' ' ' TRP . 0.2 OUTLIER 40.45 72.98 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.251 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.626 ' CG ' ' HA ' ' A' ' 120' ' ' PRO . 0.2 OUTLIER 171.26 150.86 0.19 Allowed Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.476 1.11 . . . . 0.0 109.598 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.626 ' HA ' ' CG ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.91 -8.54 23.42 Favored 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 121.005 -2.498 . . . . 0.0 111.098 -0.094 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 122' ' ' SER . 0.4 OUTLIER -165.28 30.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.148 . . . . 0.0 110.247 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.512 ' HB2' ' CE2' ' A' ' 117' ' ' TRP . 0.4 OUTLIER -39.39 158.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.944 -179.938 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -160.09 -179.92 8.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.538 1.149 . . . . 0.0 109.232 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.597 HD13 HG21 ' A' ' 28' ' ' VAL . 1.8 mt -46.28 -50.36 16.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.484 ' H ' HD12 ' A' ' 125' ' ' LEU . 6.2 mp -51.08 -56.47 12.44 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.63 -35.09 61.33 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.568 1.168 . . . . 0.0 111.023 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.588 ' HG ' HD11 ' A' ' 114' ' ' LEU . 4.2 mp -59.97 -73.38 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.567 0.804 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.3 mp -43.19 -27.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.461 1.1 . . . . 0.0 109.331 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 127' ' ' LEU . 12.1 tt0 -59.38 -60.78 3.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.296 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -48.82 -45.64 15.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.434 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 38.8 mtt -58.27 -54.48 46.55 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.933 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -45.65 -29.06 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 91.9 t -92.94 -63.33 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.257 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 17.6 t -43.0 -40.93 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.621 ' HD2' HG21 ' A' ' 70' ' ' ILE . 6.2 m-85 -89.49 -30.58 18.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 111.142 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -67.4 -18.87 70.11 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.386 1.054 . . . . 0.0 110.993 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -98.73 -41.02 7.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 0.76 . . . . 0.0 109.33 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -146.07 118.42 5.06 Favored Pre-proline 0 N--CA 1.45 -0.462 0 O-C-N 124.132 0.895 . . . . 0.0 110.417 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -74.66 113.46 3.8 Favored 'Trans proline' 0 C--N 1.355 0.894 0 O-C-N 124.521 1.801 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.559 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 17.8 Cg_endo -75.22 -0.29 9.86 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.41 1.742 . . . . 0.0 110.786 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.461 ' CG1' ' HG2' ' A' ' 95' ' ' MET . 3.5 t -76.19 -25.79 16.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 O-C-N 124.076 0.86 . . . . 0.0 109.17 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' LYS . 2.5 t80 -66.28 -170.31 0.09 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.173 0.921 . . . . 0.0 110.994 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.569 ' HB2' HG21 ' A' ' 96' ' ' THR . 8.6 t -128.55 61.77 1.48 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.536 1.148 . . . . 0.0 109.992 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 62.02 137.96 0.04 OUTLIER Pre-proline 0 N--CA 1.451 -0.395 0 O-C-N 124.352 1.033 . . . . 0.0 110.361 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.362 1.264 0 O-C-N 124.607 1.846 . . . . 0.0 111.033 179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.471 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 89.0 t -84.58 -60.87 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.5 1.125 . . . . 0.0 109.406 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.423 ' OG ' ' N ' ' A' ' 5' ' ' GLU . 2.5 p -179.81 -152.93 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.57 1.169 . . . . 0.0 109.893 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.423 ' N ' ' OG ' ' A' ' 4' ' ' SER . 5.4 pt-20 -57.79 -17.11 13.83 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.289 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -54.59 7.42 Favored 'General case' 0 C--N 1.322 -0.618 0 O-C-N 124.412 1.07 . . . . 0.0 109.764 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 11' ' ' MET . 0.9 OUTLIER -64.15 -54.81 27.99 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.052 -0.977 . . . . 0.0 110.348 -179.618 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.589 ' O ' HG22 ' A' ' 12' ' ' VAL . 4.4 mm? -48.96 -45.75 42.48 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.17 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.523 ' HA ' HG22 ' A' ' 12' ' ' VAL . 2.8 tttt -65.37 -58.93 4.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.493 1.121 . . . . 0.0 109.109 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -52.87 -24.65 9.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 O-C-N 124.209 0.943 . . . . 0.0 109.257 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' GLN . 22.6 mtt -81.76 -43.14 18.79 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.132 0.895 . . . . 0.0 111.247 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.589 HG22 ' O ' ' A' ' 8' ' ' LEU . 31.8 m -89.49 13.3 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.647 1.217 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 40.6 t -78.83 -38.25 38.57 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.087 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.3 mttt -72.6 -28.46 62.8 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.848 1.343 . . . . 0.0 108.854 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -58.31 145.41 37.99 Favored 'General case' 0 C--N 1.322 -0.608 0 O-C-N 124.711 1.257 . . . . 0.0 111.105 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.535 ' HE2' ' CE1' ' A' ' 17' ' ' TYR . 1.8 ttpt -82.42 -57.35 3.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.601 1.188 . . . . 0.0 109.293 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HA ' ' A' ' 79' ' ' THR . 17.4 m-85 -84.99 44.96 1.12 Allowed 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.649 1.218 . . . . 0.0 111.041 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.486 ' HE ' HG21 ' A' ' 22' ' ' VAL . 11.5 ttt180 -56.09 -67.69 0.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.598 1.186 . . . . 0.0 110.141 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -42.09 -28.89 0.2 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.376 1.047 . . . . 0.0 109.488 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 18' ' ' ARG . 0.7 OUTLIER -81.78 -49.75 10.04 Favored 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.405 ' N ' ' O ' ' A' ' 18' ' ' ARG . 15.8 m -63.15 -51.01 68.15 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.462 1.101 . . . . 0.0 110.407 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.486 HG21 ' HE ' ' A' ' 18' ' ' ARG . 3.0 t -58.52 -42.99 86.04 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.675 0 O-C-N 124.5 1.125 . . . . 0.0 109.505 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.13 -51.09 69.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.112 . . . . 0.0 110.394 179.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' HG2' HD13 ' A' ' 124' ' ' LEU . 1.5 tp10 -61.75 -35.72 78.92 Favored 'General case' 0 C--N 1.317 -0.841 0 O-C-N 124.569 1.168 . . . . 0.0 110.383 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.7 m -69.75 -59.79 2.72 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.485 1.115 . . . . 0.0 110.394 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.648 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.76 -39.25 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.284 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.429 HD21 HD21 ' A' ' 125' ' ' LEU . 4.1 t-20 -70.77 -61.66 1.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 O-C-N 124.463 1.102 . . . . 0.0 109.252 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG23 ' O ' ' A' ' 24' ' ' GLU . 22.1 t -39.37 -54.5 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.331 1.019 . . . . 0.0 109.237 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.648 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.8 pt -65.19 -55.2 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.497 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 2.4 m -44.95 -45.08 10.28 Favored 'General case' 0 C--N 1.321 -0.635 0 O-C-N 124.829 1.331 . . . . 0.0 109.937 -179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.71 -41.5 65.2 Favored 'General case' 0 C--N 1.318 -0.799 0 O-C-N 124.795 1.31 . . . . 0.0 109.18 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 29' ' ' ILE . 1.9 m-85 -128.88 86.2 2.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.421 1.076 . . . . 0.0 111.169 -179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.61 -41.07 69.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.791 -1.095 . . . . 0.0 108.915 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -41.71 -45.82 3.6 Favored 'General case' 0 N--CA 1.448 -0.562 0 O-C-N 124.281 0.988 . . . . 0.0 109.435 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.427 HD21 HD11 ' A' ' 72' ' ' ILE . 7.9 mp -65.13 131.1 45.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 O-C-N 124.622 1.201 . . . . 0.0 109.303 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.0 OUTLIER -123.67 128.84 25.05 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.62 1.2 . . . . 0.0 109.472 179.673 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.4 Cg_endo -74.85 142.28 28.16 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.563 1.823 . . . . 0.0 111.064 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 39' ' ' LEU . 14.3 t -130.27 164.8 32.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.589 1.18 . . . . 0.0 109.203 -179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.41 ' N ' HG12 ' A' ' 38' ' ' VAL . 2.8 tm? -127.56 109.82 12.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.517 1.136 . . . . 0.0 109.033 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -112.14 122.09 46.78 Favored 'General case' 0 N--CA 1.448 -0.534 0 O-C-N 124.541 1.151 . . . . 0.0 109.52 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 87.7 p -98.81 135.46 40.24 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.786 1.304 . . . . 0.0 110.104 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -136.7 168.96 18.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.608 1.192 . . . . 0.0 111.001 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -108.66 133.97 52.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.573 1.171 . . . . 0.0 109.422 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.401 ' O ' ' N ' ' A' ' 46' ' ' ASP . 13.8 m-85 -68.47 58.54 0.08 Allowed 'General case' 0 N--CA 1.451 -0.379 0 O-C-N 124.376 1.048 . . . . 0.0 111.142 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 t30 69.82 -60.28 0.48 Allowed 'General case' 0 C--N 1.327 -0.401 0 O-C-N 124.392 1.058 . . . . 0.0 109.35 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.534 ' O ' ' C ' ' A' ' 47' ' ' GLY . 1.0 OUTLIER -140.46 -41.09 0.42 Allowed 'General case' 0 N--CA 1.449 -0.483 0 O-C-N 124.793 1.308 . . . . 0.0 109.162 179.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.534 ' C ' ' O ' ' A' ' 46' ' ' ASP . . . -27.23 -71.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.308 1.005 . . . . 0.0 111.106 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 169.16 176.73 0.04 OUTLIER 'General case' 0 C--O 1.238 0.46 0 O-C-N 124.751 0.912 . . . . 0.0 110.334 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 77.6 p -72.6 159.27 34.16 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.159 0.912 . . . . 0.0 109.965 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.23 162.94 39.27 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 124.349 1.031 . . . . 0.0 110.13 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.768 ' C ' HD22 ' A' ' 52' ' ' LEU . 1.7 mp0 -107.08 120.29 41.68 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.616 1.197 . . . . 0.0 110.444 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.768 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.2 mm? -131.17 118.82 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 37.7 ttp -79.46 156.41 27.86 Favored 'General case' 0 C--N 1.319 -0.757 0 O-C-N 124.513 1.133 . . . . 0.0 110.969 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -156.39 132.45 9.82 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.448 1.093 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.606 HD12 HD12 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -88.86 119.69 29.58 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 124.316 1.01 . . . . 0.0 109.275 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.2 m -124.17 132.24 53.61 Favored 'General case' 0 N--CA 1.452 -0.344 0 O-C-N 124.459 1.1 . . . . 0.0 110.351 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -164.74 172.76 40.54 Favored Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.365 1.041 . . . . 0.0 110.967 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.4 p -120.67 117.26 27.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 0.767 . . . . 0.0 110.608 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.631 HG23 ' HD2' ' A' ' 60' ' ' PRO . 30.3 mt -97.02 141.47 23.1 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.418 1.074 . . . . 0.0 108.982 -179.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.631 ' HD2' HG23 ' A' ' 59' ' ' ILE . 19.2 Cg_endo -74.82 128.85 11.96 Favored 'Trans proline' 0 C--N 1.361 1.219 0 O-C-N 124.587 1.835 . . . . 0.0 111.173 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.8 t -132.25 115.1 15.0 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.618 1.199 . . . . 0.0 109.462 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 17.8 Cg_endo -75.4 124.09 8.13 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.409 1.742 . . . . 0.0 110.839 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 53.8 t80 -93.18 -65.26 1.01 Allowed 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 114.658 -1.156 . . . . 0.0 111.057 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -153.89 58.97 0.73 Allowed 'General case' 0 C--N 1.328 -0.366 0 O-C-N 124.454 1.096 . . . . 0.0 110.25 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.78 -20.45 36.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.492 1.12 . . . . 0.0 111.053 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.467 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 19.3 m-80 -109.37 168.4 9.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 0.787 . . . . 0.0 109.716 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.9 m -118.92 128.81 54.77 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.179 0.925 . . . . 0.0 110.604 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.434 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.5 OUTLIER -105.88 157.91 17.14 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.264 0.977 . . . . 0.0 111.043 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -108.93 89.69 3.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.426 1.079 . . . . 0.0 109.342 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.748 HG21 ' HD2' ' A' ' 135' ' ' PHE . 29.1 mm -79.96 114.31 45.31 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.47 1.106 . . . . 0.0 109.31 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.12 139.7 24.29 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.385 1.729 . . . . 0.0 110.994 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.427 HD11 HD21 ' A' ' 35' ' ' LEU . 1.4 pp -137.76 146.29 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.466 0 O-C-N 124.372 1.045 . . . . 0.0 109.228 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 9.8 t -134.79 132.75 39.08 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 124.472 1.108 . . . . 0.0 108.219 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.606 HD12 HD12 ' A' ' 55' ' ' LEU . 2.1 tm? -118.88 102.02 8.48 Favored 'General case' 0 N--CA 1.446 -0.669 0 O-C-N 124.535 1.147 . . . . 0.0 109.441 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 46.3 m95 -70.11 147.69 49.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.563 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.1 mt -131.42 171.73 13.03 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.79 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -142.71 178.4 7.66 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 124.535 1.147 . . . . 0.0 109.391 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -87.66 -31.39 19.79 Favored 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.406 1.066 . . . . 0.0 109.408 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.569 ' HA ' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER 176.51 -38.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.51 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -121.97 160.6 46.5 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 19.8 Cg_endo -74.86 -55.44 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.116 0 C-N-CA 121.018 -2.493 . . . . 0.0 111.176 -0.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.427 ' C ' ' HD2' ' A' ' 84' ' ' PRO . 7.6 m-85 -78.38 115.66 18.26 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.195 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 2.3 m-20 -51.28 -45.72 89.48 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.583 1.177 . . . . 0.0 109.462 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.0 149.59 36.92 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.519 1.799 . . . . 0.0 110.971 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' HD2' ' CH2' ' A' ' 117' ' ' TRP . 18.3 Cg_endo -75.0 164.61 33.02 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.962 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.472 ' O ' HD22 ' A' ' 74' ' ' LEU . 3.0 mp -104.35 140.25 22.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.24 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.1 m -92.7 149.71 21.14 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.48 1.113 . . . . 0.0 108.253 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -160.86 156.89 25.74 Favored 'General case' 0 C--N 1.32 -0.692 0 O-C-N 124.72 1.262 . . . . 0.0 111.178 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.905 HG22 ' O ' ' A' ' 107' ' ' GLY . 34.0 m -123.02 99.94 7.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.841 1.338 . . . . 0.0 109.194 -179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.0 tptt -66.79 112.7 10.3 Favored Pre-proline 0 N--CA 1.448 -0.535 0 O-C-N 124.561 1.163 . . . . 0.0 109.169 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.765 ' HB3' HD12 ' A' ' 97' ' ' ILE . 18.1 Cg_endo -75.11 -177.06 3.22 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.299 1.684 . . . . 0.0 111.101 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.5 p -139.5 -173.81 3.71 Favored 'General case' 0 C--N 1.319 -0.72 0 O-C-N 124.696 1.247 . . . . 0.0 110.575 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.7 m -81.73 -15.61 53.8 Favored 'General case' 0 C--N 1.321 -0.667 0 O-C-N 124.534 1.146 . . . . 0.0 109.785 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -92.83 -46.62 7.44 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.557 1.16 . . . . 0.0 110.135 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.52 174.28 0.33 Allowed 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.513 1.133 . . . . 0.0 110.783 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 97' ' ' ILE . 0.9 OUTLIER -128.43 -41.89 1.52 Allowed 'General case' 0 C--N 1.327 -0.39 0 O-C-N 124.532 1.145 . . . . 0.0 110.115 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.765 HD12 ' HB3' ' A' ' 91' ' ' PRO . 0.2 OUTLIER 73.58 135.67 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -110.85 166.25 11.18 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.35 1.032 . . . . 0.0 109.245 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 58.0 p -109.58 135.8 49.98 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.679 1.237 . . . . 0.0 110.405 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -167.74 -161.29 17.0 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.504 1.128 . . . . 0.0 111.034 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.45 ' O ' ' CB ' ' A' ' 110' ' ' TYR . 3.8 mttm -99.89 -17.28 17.68 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.331 0.665 . . . . 0.0 109.28 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.416 ' CD2' HD23 ' A' ' 111' ' ' LEU . 0.8 OUTLIER -109.88 -6.19 15.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.644 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 75.2 t -119.81 -41.44 2.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 O-C-N 124.519 1.137 . . . . 0.0 109.043 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 67.8 -169.29 0.19 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.355 1.034 . . . . 0.0 109.28 -179.682 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -103.12 -18.64 14.85 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 124.205 0.941 . . . . 0.0 108.972 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 20.3 m-80 -100.17 26.82 6.11 Favored 'General case' 0 C--N 1.318 -0.772 0 O-C-N 124.316 1.01 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.905 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 49.28 24.09 4.73 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.648 1.218 . . . . 0.0 111.007 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.558 ' HG2' ' CD1' ' A' ' 110' ' ' TYR . 18.1 tttt -78.61 141.87 37.7 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.497 ' CG2' HD12 ' A' ' 111' ' ' LEU . 8.0 mm -89.42 101.39 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.558 ' CD1' ' HG2' ' A' ' 108' ' ' LYS . 1.5 m-30 -98.06 44.66 1.03 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.063 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.497 HD12 ' CG2' ' A' ' 109' ' ' ILE . 43.9 mt -70.9 155.08 93.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.376 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.55 10.88 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 9.8 t80 -63.94 -57.93 8.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.15 . . . . 0.0 111.05 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.77 -35.86 79.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.2 t60 -64.96 -42.97 94.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -102.5 30.76 4.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.255 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.571 ' CH2' ' HD2' ' A' ' 85' ' ' PRO . 3.8 t90 -81.7 117.09 21.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 108.021 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -173.33 34.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.555 ' CG ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 76.05 161.68 0.15 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.65 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.555 ' HA ' ' CG ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.01 1.32 15.91 Favored 'Cis proline' 0 C--N 1.36 1.165 0 C-N-CA 121.01 -2.496 . . . . 0.0 111.018 0.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.43 ' N ' ' HA ' ' A' ' 119' ' ' HIS . 0.1 OUTLIER -85.69 41.37 0.9 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.431 1.082 . . . . 0.0 110.313 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.446 ' HA ' ' NE1' ' A' ' 117' ' ' TRP . 63.1 p -93.34 114.0 26.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.549 1.155 . . . . 0.0 109.979 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.402 ' CG ' ' C ' ' A' ' 122' ' ' SER . 0.0 OUTLIER 167.35 134.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.517 HD13 ' HG2' ' A' ' 24' ' ' GLU . 0.2 OUTLIER -62.73 -21.03 65.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.287 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 27' ' ' ASN . 4.9 mp -63.79 -54.4 35.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 1.122 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -59.69 -28.94 66.22 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.483 1.114 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.93 -74.46 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 109.294 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.459 ' H ' HD12 ' A' ' 128' ' ' ILE . 2.8 mp -48.7 -23.91 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.314 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.29 -59.63 5.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.293 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.51 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.6 OUTLIER -47.23 -50.0 7.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.51 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 53.8 mtt -54.67 -52.99 60.6 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 110.94 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 1.2 mt -45.46 -32.23 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 69.9 t -90.75 -62.65 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.8 t -41.23 -45.87 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.748 ' HD2' HG21 ' A' ' 70' ' ' ILE . 19.9 m-85 -82.98 -32.74 26.87 Favored 'General case' 0 N--CA 1.445 -0.686 0 O-C-N 124.504 1.128 . . . . 0.0 111.105 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.82 -14.83 56.69 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.349 1.031 . . . . 0.0 110.999 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -90.08 -43.61 10.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -169.96 160.6 6.81 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.103 . . . . 0.0 110.299 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.13 117.01 4.73 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.566 1.824 . . . . 0.0 111.131 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.24 0.38 9.08 Favored 'Trans proline' 0 C--N 1.356 0.962 0 O-C-N 124.528 1.804 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 35.9 m -110.33 122.83 65.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 114.937 -1.029 . . . . 0.0 109.361 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.507 ' CD2' ' N ' ' A' ' 143' ' ' SER . 66.2 t80 -178.31 175.41 1.19 Allowed 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.713 1.258 . . . . 0.0 111.076 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.507 ' N ' ' CD2' ' A' ' 142' ' ' PHE . 0.3 OUTLIER -82.77 53.77 2.49 Favored 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.811 1.32 . . . . 0.0 110.521 179.546 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 47.34 93.21 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 114.729 -1.123 . . . . 0.0 110.403 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.477 1.778 . . . . 0.0 111.08 -179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.607 ' O ' HG22 ' A' ' 3' ' ' VAL . 5.6 p -176.75 45.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 O-C-N 124.622 1.201 . . . . 0.0 109.126 179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.5 m -150.64 -44.69 0.12 Allowed 'General case' 0 N--CA 1.447 -0.588 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.086 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -47.96 -32.85 6.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.635 1.209 . . . . 0.0 110.127 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.77 -49.72 24.04 Favored 'General case' 0 C--N 1.319 -0.724 0 O-C-N 124.49 1.119 . . . . 0.0 109.818 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.43 -42.97 95.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.932 1.395 . . . . 0.0 109.981 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.2 -42.87 82.09 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.624 1.203 . . . . 0.0 109.297 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.405 ' O ' ' N ' ' A' ' 13' ' ' SER . 5.5 ttpt -54.13 -54.68 36.22 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.317 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -29.49 61.64 Favored 'General case' 0 C--O 1.24 0.581 0 O-C-N 124.588 1.18 . . . . 0.0 109.05 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.09 -41.83 61.08 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 124.148 0.905 . . . . 0.0 111.256 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 11.5 m -96.12 15.34 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 O-C-N 124.915 1.384 . . . . 0.0 109.44 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 9' ' ' LYS . 29.3 t -77.2 -9.31 58.7 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.53 1.144 . . . . 0.0 109.879 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -89.18 -37.3 15.12 Favored 'General case' 0 C--N 1.33 -0.24 0 O-C-N 124.439 1.087 . . . . 0.0 108.998 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.4 ' CZ ' ' HG2' ' A' ' 53' ' ' MET . 1.9 m-85 -38.19 123.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.524 1.14 . . . . 0.0 111.135 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.0 tptt -57.35 -45.91 83.88 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 14.3 m-85 -97.46 32.51 2.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.711 1.257 . . . . 0.0 110.899 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.62 -44.91 18.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.581 1.175 . . . . 0.0 110.212 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.87 -32.41 71.84 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.525 1.141 . . . . 0.0 109.336 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -80.31 -47.55 14.35 Favored 'General case' 0 C--N 1.318 -0.797 0 O-C-N 124.579 1.175 . . . . 0.0 109.287 -179.955 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 3.5 m -59.74 -54.13 49.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.438 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.9 t -57.93 -41.7 80.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 O-C-N 124.571 1.17 . . . . 0.0 109.183 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 23.5 ttm180 -61.13 -51.63 68.27 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.449 1.093 . . . . 0.0 110.564 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.767 ' O ' HG23 ' A' ' 28' ' ' VAL . 1.6 tp10 -62.2 -31.99 72.58 Favored 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.562 1.164 . . . . 0.0 110.257 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.449 HG22 HD13 ' A' ' 29' ' ' ILE . 20.2 m -74.25 -57.92 3.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 110.442 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.543 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -40.14 -41.85 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.027 -179.771 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.482 ' ND2' HD11 ' A' ' 125' ' ' LEU . 33.5 t-20 -73.43 -53.86 9.67 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.352 1.033 . . . . 0.0 109.357 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 24' ' ' GLU . 20.3 t -45.77 -51.19 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.587 1.179 . . . . 0.0 109.287 -179.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.543 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.4 pt -68.99 -53.44 25.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.283 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.472 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 4.1 m -47.68 -42.96 26.04 Favored 'General case' 0 C--N 1.327 -0.387 0 O-C-N 124.597 1.186 . . . . 0.0 110.643 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -38.81 71.33 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.581 ' CE2' HG21 ' A' ' 128' ' ' ILE . 58.4 m-85 -130.1 88.07 2.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 111.033 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mmmt -49.87 -37.92 33.16 Favored 'General case' 0 N--CA 1.447 -0.615 0 O-C-N 124.517 1.136 . . . . 0.0 109.845 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -48.84 -47.64 42.42 Favored 'General case' 0 N--CA 1.448 -0.565 0 O-C-N 124.48 1.113 . . . . 0.0 109.229 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.25 127.96 33.87 Favored 'General case' 0 C--N 1.329 -0.324 0 O-C-N 124.382 1.051 . . . . 0.0 109.24 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 5.4 mmtp -126.83 144.6 50.66 Favored Pre-proline 0 C--N 1.326 -0.423 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.0 Cg_endo -75.09 146.16 31.99 Favored 'Trans proline' 0 C--N 1.358 1.069 0 O-C-N 124.502 1.79 . . . . 0.0 110.938 -179.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG12 ' N ' ' A' ' 39' ' ' LEU . 42.6 t -136.02 168.42 22.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.148 0.905 . . . . 0.0 109.152 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.538 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -131.22 112.27 12.66 Favored 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.688 1.243 . . . . 0.0 109.231 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -124.41 108.69 12.43 Favored 'General case' 0 N--CA 1.448 -0.54 0 O-C-N 124.555 1.16 . . . . 0.0 109.292 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -94.66 123.6 38.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 125.017 1.448 . . . . 0.0 110.023 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -99.81 148.54 24.31 Favored 'General case' 0 N--CA 1.451 -0.415 0 O-C-N 124.646 1.216 . . . . 0.0 110.786 -179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.8 m -110.49 131.97 60.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 O-C-N 124.349 1.031 . . . . 0.0 109.219 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.465 ' O ' ' N ' ' A' ' 46' ' ' ASP . 9.9 m-85 -83.88 77.76 9.84 Favored 'General case' 0 C--O 1.222 -0.371 0 O-C-N 124.481 1.113 . . . . 0.0 111.099 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 67.34 -68.16 0.16 Allowed 'General case' 0 C--N 1.327 -0.375 0 O-C-N 124.55 1.156 . . . . 0.0 109.181 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 44' ' ' PHE . 7.2 m-20 -174.5 35.09 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.141 0.9 . . . . 0.0 109.378 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.479 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -102.91 -24.04 8.31 Favored Glycine 0 CA--C 1.533 1.198 0 O-C-N 124.587 1.179 . . . . 0.0 110.816 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.9 OUTLIER 160.87 -178.53 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.839 0 O-C-N 124.516 0.774 . . . . 0.0 110.184 179.734 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 51.9 p -131.18 127.73 38.56 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.66 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.503 ' HD2' HD21 ' A' ' 52' ' ' LEU . 10.1 ptt180 -106.43 128.22 53.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.923 1.389 . . . . 0.0 109.956 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.479 ' HB2' HD11 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -76.88 103.05 6.61 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.82 1.325 . . . . 0.0 110.477 179.637 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.503 HD21 ' HD2' ' A' ' 50' ' ' ARG . 3.8 mm? -116.04 119.99 37.64 Favored 'General case' 0 N--CA 1.445 -0.68 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.6 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.4 ' HG2' ' CZ ' ' A' ' 15' ' ' TYR . 16.2 ptm -81.35 149.38 28.92 Favored 'General case' 0 C--N 1.317 -0.825 0 O-C-N 124.749 1.281 . . . . 0.0 111.017 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -134.47 141.66 46.84 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.547 1.154 . . . . 0.0 109.287 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.4 mt -101.42 112.6 25.18 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.2 t -123.69 154.99 38.62 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.212 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.14 176.26 45.1 Favored Glycine 0 CA--C 1.532 1.132 0 O-C-N 124.419 1.075 . . . . 0.0 110.979 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 13.4 p -118.83 118.79 32.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 0.762 . . . . 0.0 110.198 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.724 HG23 ' HD2' ' A' ' 60' ' ' PRO . 83.5 mt -89.83 142.5 29.11 Favored Pre-proline 0 C--N 1.323 -0.561 0 O-C-N 124.699 1.25 . . . . 0.0 109.066 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.724 ' HD2' HG23 ' A' ' 59' ' ' ILE . 17.7 Cg_endo -75.24 109.88 3.0 Favored 'Trans proline' 0 C--N 1.363 1.305 0 O-C-N 124.81 1.953 . . . . 0.0 111.027 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.433 ' O ' HG12 ' A' ' 61' ' ' VAL . 13.0 t -114.78 93.25 32.95 Favored Pre-proline 0 N--CA 1.453 -0.298 0 O-C-N 124.647 1.217 . . . . 0.0 109.116 -179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.1 Cg_endo -75.49 153.49 39.52 Favored 'Trans proline' 0 C--N 1.363 1.296 0 O-C-N 124.634 1.86 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 7.8 t80 -155.61 113.31 3.34 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.939 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 61.21 35.85 18.2 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.412 1.07 . . . . 0.0 110.353 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.95 2.25 84.13 Favored Glycine 0 CA--C 1.526 0.747 0 O-C-N 124.67 1.232 . . . . 0.0 111.148 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.445 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 11.9 m-20 -91.48 -178.34 5.07 Favored 'General case' 0 N--CA 1.45 -0.458 0 O-C-N 124.073 0.513 . . . . 0.0 109.646 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 27.1 m -148.99 121.31 8.41 Favored 'General case' 0 C--N 1.322 -0.625 0 O-C-N 124.183 0.927 . . . . 0.0 110.439 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -113.69 161.45 17.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.593 1.183 . . . . 0.0 111.066 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.4 m-20 -117.17 84.91 2.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.422 1.076 . . . . 0.0 109.247 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.498 HG21 ' HD2' ' A' ' 135' ' ' PHE . 4.3 mm -80.65 114.1 45.18 Favored Pre-proline 0 C--N 1.32 -0.702 0 O-C-N 124.539 1.149 . . . . 0.0 109.395 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 151.92 40.14 Favored 'Trans proline' 0 C--N 1.362 1.26 0 O-C-N 124.509 1.794 . . . . 0.0 111.167 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 pp -139.55 154.94 25.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.419 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.0 t -135.52 141.26 45.22 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.427 1.079 . . . . 0.0 108.256 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 140.66 47.52 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.988 1.43 . . . . 0.0 109.329 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.473 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 73.0 m95 -109.05 133.0 53.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.06 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.458 HD22 ' HB3' ' A' ' 85' ' ' PRO . 1.5 mm? -111.74 171.53 7.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.984 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -148.66 169.06 21.23 Favored 'General case' 0 N--CA 1.445 -0.704 0 O-C-N 124.494 1.121 . . . . 0.0 109.447 -179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -80.96 -37.63 29.09 Favored 'General case' 0 N--CA 1.452 -0.363 0 O-C-N 124.422 1.076 . . . . 0.0 109.361 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.424 ' HG1' ' HE2' ' A' ' 17' ' ' TYR . 1.7 t -176.08 -33.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 110.39 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.487 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 31.9 m-85 -99.56 162.57 20.78 Favored Pre-proline 0 C--N 1.327 -0.377 0 O-C-N 124.52 1.138 . . . . 0.0 111.076 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.8 Cg_endo -74.89 -55.96 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.129 -2.446 . . . . 0.0 110.987 -0.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.446 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 96.1 m-85 -71.94 -71.24 0.29 Allowed 'General case' 0 C--N 1.323 -0.582 0 O-C-N 124.753 1.283 . . . . 0.0 110.866 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.984 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.8 OUTLIER 160.08 -50.01 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.622 0 O-C-N 124.413 1.07 . . . . 0.0 109.372 -179.785 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.54 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.01 151.08 39.02 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.501 1.79 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.473 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.3 Cg_endo -75.04 167.58 26.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.471 1.774 . . . . 0.0 110.942 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 6.1 mt -104.19 155.02 5.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 109.248 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.455 ' CB ' ' HB ' ' A' ' 109' ' ' ILE . 87.3 m -95.74 142.46 28.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.279 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.499 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.9 OUTLIER -154.69 176.12 12.83 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 111.074 179.92 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -139.78 160.18 27.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 O-C-N 124.663 1.227 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.7 92.22 4.21 Favored Pre-proline 0 C--N 1.32 -0.71 0 O-C-N 125.072 1.482 . . . . 0.0 109.197 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.756 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.2 Cg_endo -75.35 174.65 12.44 Favored 'Trans proline' 0 C--N 1.363 1.314 0 O-C-N 124.316 1.693 . . . . 0.0 110.763 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 2.6 p -89.49 -174.59 4.41 Favored 'General case' 0 C--N 1.328 -0.349 0 O-C-N 124.388 1.055 . . . . 0.0 110.493 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.01 -30.79 19.71 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 124.491 1.119 . . . . 0.0 110.124 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.74 -54.06 22.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.945 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 1.1 mpp? -79.78 -174.9 4.6 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 124.391 1.057 . . . . 0.0 110.971 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.678 HG21 ' OG ' ' A' ' 143' ' ' SER . 8.8 t -125.3 -160.97 0.99 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.427 1.079 . . . . 0.0 110.18 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.756 HD12 ' HG3' ' A' ' 91' ' ' PRO . 4.7 tt -127.67 145.13 35.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.415 1.072 . . . . 0.0 109.269 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.416 ' HB3' ' HA ' ' A' ' 140' ' ' PRO . 7.3 tttp -114.07 81.52 1.55 Allowed 'General case' 0 C--N 1.321 -0.631 0 O-C-N 124.546 1.154 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.621 HG22 HG12 ' A' ' 103' ' ' VAL . 8.3 p -82.51 138.83 34.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.293 0.996 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 169.25 -89.55 0.09 OUTLIER Glycine 0 CA--C 1.527 0.831 0 O-C-N 124.484 1.115 . . . . 0.0 111.066 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -43.54 -72.89 0.05 Allowed 'General case' 0 N--CA 1.449 -0.477 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.435 ' O ' ' CE1' ' A' ' 110' ' ' TYR . 0.5 OUTLIER -120.24 -39.95 2.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 109.805 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.722 HG21 ' HB2' ' A' ' 140' ' ' PRO . 55.2 t -55.75 116.76 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.839 -1.073 . . . . 0.0 109.371 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.93 -168.62 1.79 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.59 1.181 . . . . 0.0 109.36 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -72.6 -17.87 61.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.72 1.262 . . . . 0.0 109.259 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -108.61 22.36 16.04 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.609 1.193 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . . . . . . . . . . . 50.89 33.77 28.93 Favored Glycine 0 CA--C 1.533 1.202 0 O-C-N 124.433 1.083 . . . . 0.0 110.997 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.499 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 8.8 tttt -90.77 143.12 27.05 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.619 0.835 . . . . 0.0 109.435 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.625 ' CG2' HD12 ' A' ' 111' ' ' LEU . 33.6 mm -102.1 99.3 8.11 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 O-C-N 124.899 1.374 . . . . 0.0 109.271 -179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.58 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 28.6 p90 -109.05 39.83 1.96 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.625 HD12 ' CG2' ' A' ' 109' ' ' ILE . 3.9 mt -42.86 155.09 0.27 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -27.07 10.31 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.499 1.789 . . . . 0.0 111.024 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -67.45 -47.26 70.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.16 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.475 HD11 HD22 ' A' ' 127' ' ' LEU . 0.2 OUTLIER -55.81 -42.27 75.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -64.46 -40.39 95.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.104 . . . . 0.0 109.601 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -102.54 34.48 2.77 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.467 1.105 . . . . 0.0 110.291 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.662 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 2.8 t90 -80.88 118.73 22.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 108.007 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.408 ' O ' ' O ' ' A' ' 119' ' ' HIS . 0.8 OUTLIER -121.66 76.25 1.25 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.573 1.17 . . . . 0.0 109.248 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.528 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -41.41 162.61 0.12 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.559 1.162 . . . . 0.0 109.659 179.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.528 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 1.94 15.39 Favored 'Cis proline' 0 C--N 1.359 1.13 0 C-N-CA 121.059 -2.475 . . . . 0.0 111.033 0.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.471 ' C ' ' O ' ' A' ' 120' ' ' PRO . 1.3 mp0 -32.65 -63.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.662 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -92.94 172.67 8.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.059 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -178.51 169.36 1.76 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 4.1 mp -57.74 -36.47 72.12 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.482 HD11 ' ND2' ' A' ' 27' ' ' ASN . 3.0 mp -61.31 -56.79 16.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 109.341 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -63.16 -33.93 88.58 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.456 1.098 . . . . 0.0 110.998 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.56 ' O ' HG12 ' A' ' 130' ' ' VAL . 15.2 mt -55.01 -56.57 18.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.535 0.786 . . . . 0.0 109.269 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.581 HG21 ' CE2' ' A' ' 32' ' ' TYR . 2.0 mp -68.49 -17.38 22.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.86 -56.56 4.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 127' ' ' LEU . 1.8 p -51.14 -35.38 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.58 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 5.7 mtt -66.33 -54.78 20.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 110.999 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.418 HG13 HG21 ' A' ' 59' ' ' ILE . 0.2 OUTLIER -45.38 -32.27 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.372 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 94.8 t -87.34 -61.93 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.549 1.156 . . . . 0.0 109.241 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 5.5 t -43.95 -48.62 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.546 1.154 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.58 ' CE1' ' HG2' ' A' ' 131' ' ' MET . 4.6 m-85 -74.31 -34.06 63.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.443 1.089 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.87 -19.54 63.36 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.279 0.987 . . . . 0.0 110.96 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.7 -50.82 4.54 Favored 'General case' 0 C--N 1.323 -0.572 0 O-C-N 124.386 0.698 . . . . 0.0 109.338 179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -136.36 114.09 10.47 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.192 . . . . 0.0 110.407 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.505 ' C ' ' H ' ' A' ' 141' ' ' VAL . 17.8 Cg_endo -75.13 113.59 3.82 Favored 'Trans proline' 0 C--N 1.356 0.948 0 O-C-N 124.411 1.743 . . . . 0.0 111.058 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.722 ' HB2' HG21 ' A' ' 103' ' ' VAL . 17.9 Cg_endo -75.22 33.78 0.39 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.444 1.76 . . . . 0.0 110.849 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.505 ' H ' ' C ' ' A' ' 139' ' ' PRO . 25.0 t -108.77 -15.54 9.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 O-C-N 124.494 1.122 . . . . 0.0 109.286 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -76.95 -168.25 1.02 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.941 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.678 ' OG ' HG21 ' A' ' 96' ' ' THR . 0.5 OUTLIER -127.01 35.24 4.62 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 124.499 1.125 . . . . 0.0 110.21 179.613 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 11.1 ttt-85 66.76 127.89 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.573 1.17 . . . . 0.0 110.483 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.556 1.819 . . . . 0.0 110.993 -179.932 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 98.1 t -58.83 -57.82 9.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.432 1.082 . . . . 0.0 109.105 -179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.38 -161.7 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 124.634 1.209 . . . . 0.0 109.899 179.404 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -46.45 -24.53 0.52 Allowed 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.551 1.157 . . . . 0.0 110.32 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.02 -53.99 31.57 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.491 1.12 . . . . 0.0 110.025 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.47 -39.74 91.99 Favored 'General case' 0 C--N 1.319 -0.727 0 O-C-N 124.637 1.211 . . . . 0.0 110.532 179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.485 ' O ' HG22 ' A' ' 12' ' ' VAL . 6.9 mp -61.69 -48.17 81.98 Favored 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.526 1.141 . . . . 0.0 109.277 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.493 ' HA ' HG22 ' A' ' 12' ' ' VAL . 0.0 OUTLIER -48.99 -56.82 7.76 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.436 1.085 . . . . 0.0 109.309 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.62 -33.69 34.27 Favored 'General case' 0 N--CA 1.45 -0.455 0 O-C-N 124.147 0.905 . . . . 0.0 109.796 179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.485 ' HE1' HD23 ' A' ' 39' ' ' LEU . 9.1 tmm? -75.96 -43.86 42.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.13 179.78 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' A' ' 9' ' ' LYS . 35.5 m -88.02 13.38 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.525 1.14 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 31.2 t -62.4 -25.33 67.88 Favored 'General case' 0 C--N 1.318 -0.798 0 O-C-N 124.619 1.199 . . . . 0.0 109.876 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.86 -27.36 12.7 Favored 'General case' 0 C--N 1.322 -0.601 0 O-C-N 124.871 1.357 . . . . 0.0 109.415 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.67 ' OH ' HD13 ' A' ' 52' ' ' LEU . 1.1 m-85 -45.16 122.29 3.31 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 114.975 -1.012 . . . . 0.0 111.021 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.65 -57.16 13.6 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.119 . . . . 0.0 109.438 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.593 ' CE2' ' OD1' ' A' ' 83' ' ' ASN . 35.3 m-85 -92.1 39.0 1.01 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.199 -0.91 . . . . 0.0 110.661 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.632 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.45 -29.97 69.36 Favored 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.372 1.045 . . . . 0.0 110.092 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 3.5 t70 -78.16 -40.41 37.91 Favored 'General case' 0 N--CA 1.449 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 109.527 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.08 -34.94 71.63 Favored 'General case' 0 C--N 1.317 -0.819 0 O-C-N 124.568 1.168 . . . . 0.0 109.293 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 m -76.4 -55.26 5.71 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.543 1.152 . . . . 0.0 110.408 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.632 HG23 ' O ' ' A' ' 18' ' ' ARG . 42.9 t -52.41 -38.23 25.39 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.664 0 O-C-N 124.458 1.099 . . . . 0.0 109.515 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 24.4 ttm180 -68.29 -49.19 62.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 110.419 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -62.8 -41.48 99.3 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.302 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.501 ' O ' ' CG1' ' A' ' 29' ' ' ILE . 3.0 m -61.12 -60.02 4.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 110.414 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -48.13 -42.07 10.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 109.667 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.712 ' OD1' HD11 ' A' ' 125' ' ' LEU . 6.0 t-20 -64.95 -78.67 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 114.825 -1.08 . . . . 0.0 109.353 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.442 ' N ' ' OD1' ' A' ' 27' ' ' ASN . 69.1 t -39.56 -30.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.832 -1.076 . . . . 0.0 109.36 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.681 HD11 ' CD2' ' A' ' 55' ' ' LEU . 5.4 mm -73.77 -53.97 16.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 27' ' ' ASN . 2.3 m -66.0 -42.25 89.99 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.53 1.144 . . . . 0.0 110.415 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.62 -31.21 2.71 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 124.282 0.989 . . . . 0.0 109.248 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.41 ' O ' ' O ' ' A' ' 29' ' ' ILE . 1.7 m-85 -124.72 -179.6 4.58 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 -179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.5 mttp -144.32 78.33 1.57 Allowed 'General case' 0 C--N 1.32 -0.69 0 O-C-N 124.563 1.165 . . . . 0.0 109.029 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t0 178.44 -38.81 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 O-C-N 124.576 1.172 . . . . 0.0 109.217 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.596 HD12 ' HA3' ' A' ' 57' ' ' GLY . 4.2 mp -63.99 127.76 32.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.42 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 2.7 mtpt -116.39 130.41 24.51 Favored Pre-proline 0 C--N 1.328 -0.332 0 O-C-N 124.649 1.218 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 18.6 Cg_endo -75.1 137.33 21.35 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.648 1.867 . . . . 0.0 111.099 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 39' ' ' LEU . 44.0 t -123.71 168.93 15.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.124 0.89 . . . . 0.0 109.344 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.692 HD11 ' HG2' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -149.49 109.89 4.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.211 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.534 ' N ' HD22 ' A' ' 39' ' ' LEU . 23.7 t70 -133.51 134.22 43.17 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.53 1.144 . . . . 0.0 109.229 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.6 p -95.59 145.73 25.01 Favored 'General case' 0 C--N 1.321 -0.673 0 O-C-N 124.971 1.419 . . . . 0.0 109.861 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -115.49 133.06 56.39 Favored 'General case' 0 N--CA 1.451 -0.418 0 O-C-N 124.648 1.217 . . . . 0.0 110.89 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.415 HG12 ' H ' ' A' ' 43' ' ' VAL . 2.5 p -80.48 122.38 35.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 O-C-N 124.839 1.337 . . . . 0.0 109.123 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -85.12 142.87 29.21 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.51 1.131 . . . . 0.0 111.429 179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.83 82.7 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.767 1.292 . . . . 0.0 109.308 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -177.11 -39.72 0.01 OUTLIER 'General case' 0 N--CA 1.447 -0.586 0 O-C-N 124.356 1.035 . . . . 0.0 109.318 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 127.51 48.37 0.17 Allowed Glycine 0 CA--C 1.527 0.789 0 O-C-N 124.341 1.026 . . . . 0.0 111.475 -179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 1.8 m -168.95 144.36 3.3 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 124.424 0.72 . . . . 0.0 110.078 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p -120.95 138.14 54.28 Favored 'General case' 0 N--CA 1.452 -0.375 0 O-C-N 124.132 0.895 . . . . 0.0 109.951 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.83 139.32 46.24 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.55 1.156 . . . . 0.0 110.45 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.701 ' O ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -81.98 122.32 27.64 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.828 1.33 . . . . 0.0 109.927 -179.684 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD22 ' O ' ' A' ' 51' ' ' GLU . 4.5 mm? -128.87 134.12 48.18 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 114.796 -1.093 . . . . 0.0 109.3 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.456 ' HB3' HD23 ' A' ' 76' ' ' LEU . 0.7 OUTLIER -74.78 169.6 17.56 Favored 'General case' 0 C--N 1.321 -0.638 0 O-C-N 124.181 0.926 . . . . 0.0 110.95 -179.921 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.602 ' OD1' ' CE3' ' A' ' 75' ' ' TRP . 14.8 m-80 -157.77 146.1 19.06 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.681 ' CD2' HD11 ' A' ' 29' ' ' ILE . 4.9 mt -122.86 107.42 11.85 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.598 1.186 . . . . 0.0 109.42 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 13.9 t -116.96 145.76 43.44 Favored 'General case' 0 N--CA 1.452 -0.327 0 O-C-N 124.348 1.03 . . . . 0.0 110.322 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.596 ' HA3' HD12 ' A' ' 35' ' ' LEU . . . 174.18 -170.18 43.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.461 1.1 . . . . 0.0 110.968 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 57.0 p -132.16 137.24 47.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.781 . . . . 0.0 110.334 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.678 HG23 ' HD2' ' A' ' 60' ' ' PRO . 5.3 mp -105.49 141.84 23.48 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.346 1.029 . . . . 0.0 109.442 -179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.678 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.5 Cg_endo -74.59 123.23 7.93 Favored 'Trans proline' 0 C--N 1.358 1.041 0 O-C-N 124.277 1.672 . . . . 0.0 111.024 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.497 HG21 HG13 ' A' ' 70' ' ' ILE . 2.1 t -117.72 106.18 46.52 Favored Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.563 1.164 . . . . 0.0 109.249 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.471 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.2 Cg_endo -75.53 90.41 1.13 Allowed 'Trans proline' 0 C--N 1.365 1.404 0 O-C-N 124.73 1.911 . . . . 0.0 111.01 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.507 ' O ' ' HB2' ' A' ' 64' ' ' ARG . 11.0 t80 -79.93 77.82 6.58 Favored 'General case' 0 N--CA 1.452 -0.358 0 O-C-N 124.564 1.165 . . . . 0.0 111.036 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.507 ' HB2' ' O ' ' A' ' 63' ' ' TYR . 1.3 mmt85 84.56 -42.7 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.601 1.188 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -165.25 -35.82 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.471 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.2 OUTLIER -81.39 149.04 29.03 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.446 0.733 . . . . 0.0 109.565 179.912 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.7 m -102.05 125.63 48.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.36 1.038 . . . . 0.0 110.609 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.445 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.3 OUTLIER -100.85 159.05 15.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.591 1.182 . . . . 0.0 110.948 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 59.3 m-80 -114.38 80.53 1.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 109.221 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.58 HD11 ' HB3' ' A' ' 139' ' ' PRO . 12.1 mm -72.63 113.98 26.02 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.754 1.284 . . . . 0.0 109.342 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.505 ' O ' HG23 ' A' ' 72' ' ' ILE . 18.6 Cg_endo -75.01 142.14 27.46 Favored 'Trans proline' 0 C--N 1.362 1.266 0 O-C-N 124.433 1.754 . . . . 0.0 111.053 -179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 71' ' ' PRO . 2.5 pp -154.92 159.43 3.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 O-C-N 124.514 1.134 . . . . 0.0 109.261 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.566 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 38.5 t -144.74 152.56 40.56 Favored 'General case' 0 C--N 1.327 -0.394 0 O-C-N 124.475 1.109 . . . . 0.0 108.16 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.516 HD23 ' HB2' ' A' ' 85' ' ' PRO . 0.1 OUTLIER -135.72 145.64 46.87 Favored 'General case' 0 N--CA 1.448 -0.541 0 O-C-N 124.5 1.125 . . . . 0.0 109.4 179.779 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.602 ' CE3' ' OD1' ' A' ' 54' ' ' ASN . 47.6 m95 -111.78 129.74 56.03 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.585 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.0 mm? -84.85 168.84 14.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.012 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -152.69 158.98 43.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 -179.897 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.613 ' OD1' ' CD1' ' A' ' 15' ' ' TYR . 5.9 m-20 -89.26 -33.95 16.79 Favored 'General case' 0 C--N 1.318 -0.763 0 O-C-N 124.617 1.198 . . . . 0.0 109.339 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.41 ' C ' HD23 ' A' ' 77' ' ' LEU . 10.2 t -161.73 -42.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.553 1.158 . . . . 0.0 110.293 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.523 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.7 OUTLIER -75.65 160.01 80.15 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.12 . . . . 0.0 111.087 -179.823 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.523 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.9 Cg_endo -75.06 -47.02 0.33 Allowed 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.88 -2.55 . . . . 0.0 110.93 0.076 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.405 ' HB3' ' HD2' ' A' ' 84' ' ' PRO . 84.7 t80 -106.54 -35.73 6.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.944 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.012 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER 164.09 -51.96 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.4 1.062 . . . . 0.0 109.283 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -75.04 152.95 41.18 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.496 1.788 . . . . 0.0 111.048 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.516 ' HB2' HD23 ' A' ' 74' ' ' LEU . 18.2 Cg_endo -75.08 -175.68 2.5 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.09 149.88 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.46 ' SG ' HD11 ' A' ' 74' ' ' LEU . 95.1 m -122.75 129.16 51.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.566 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 1.5 p90 -158.99 147.78 18.41 Favored 'General case' 0 N--CA 1.446 -0.643 0 O-C-N 124.535 1.147 . . . . 0.0 111.074 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.63 HG22 ' HA3' ' A' ' 107' ' ' GLY . 12.1 m -75.43 165.32 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.438 0 O-C-N 124.384 1.052 . . . . 0.0 109.239 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -151.32 68.08 7.74 Favored Pre-proline 0 C--N 1.321 -0.635 0 O-C-N 124.612 1.195 . . . . 0.0 109.387 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.532 ' HD3' HG23 ' A' ' 89' ' ' VAL . 18.5 Cg_endo -74.88 178.24 7.47 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.828 1.962 . . . . 0.0 111.036 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 72.6 p -82.68 -169.7 2.6 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.932 1.395 . . . . 0.0 110.387 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.98 -44.34 16.83 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 114.935 -1.03 . . . . 0.0 110.006 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.02 -52.44 65.26 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.472 1.107 . . . . 0.0 109.593 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.439 ' HG2' ' CG1' ' A' ' 141' ' ' VAL . 0.0 OUTLIER -58.17 177.26 0.13 Allowed 'General case' 0 C--N 1.32 -0.715 0 O-C-N 124.531 1.145 . . . . 0.0 111.045 179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 67.6 p -133.64 -165.57 1.65 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.102 . . . . 0.0 110.351 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -144.59 114.72 1.93 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.632 0 O-C-N 124.401 1.063 . . . . 0.0 109.348 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 23.5 tptt -91.77 93.03 8.67 Favored 'General case' 0 N--CA 1.451 -0.388 0 O-C-N 124.542 1.152 . . . . 0.0 109.205 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.1 p -40.21 139.09 0.77 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.704 1.253 . . . . 0.0 110.411 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.797 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -140.95 -148.26 5.07 Favored Glycine 0 CA--C 1.527 0.793 0 O-C-N 124.661 1.225 . . . . 0.0 111.041 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -72.82 -41.85 64.47 Favored 'General case' 0 C--N 1.322 -0.624 0 O-C-N 124.79 0.935 . . . . 0.0 109.271 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.416 ' ND1' ' N ' ' A' ' 102' ' ' HIS . 0.3 OUTLIER -108.87 -50.12 3.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.572 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.797 HG23 ' N ' ' A' ' 100' ' ' GLY . 9.4 m -55.4 97.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 O-C-N 124.65 1.219 . . . . 0.0 109.363 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -76.16 -173.02 2.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.682 1.239 . . . . 0.0 109.437 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -62.97 -36.5 83.69 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.945 1.403 . . . . 0.0 109.435 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.4 m-20 -78.13 -27.41 48.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 124.674 1.233 . . . . 0.0 109.419 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.63 ' HA3' HG22 ' A' ' 89' ' ' VAL . . . 114.58 -8.83 22.06 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-N 114.788 -1.096 . . . . 0.0 111.09 -179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.42 ' HA ' ' CB ' ' A' ' 88' ' ' PHE . 1.9 ttpt -55.11 129.93 40.0 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.886 HD11 ' HE2' ' A' ' 131' ' ' MET . 15.1 pt -106.86 103.99 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 114.892 -1.049 . . . . 0.0 109.313 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.556 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 32.6 p90 -117.69 54.02 0.92 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.545 ' H ' HD12 ' A' ' 111' ' ' LEU . 1.2 mp -39.61 151.09 0.23 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -34.82 3.57 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.447 1.761 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 15.7 t80 -54.87 -51.74 64.98 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.511 1.132 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.754 HD11 ' HG ' ' A' ' 127' ' ' LEU . 3.2 mm? -44.72 -59.39 2.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.345 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -47.8 -40.21 20.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.578 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -98.55 28.28 4.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.348 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.45 ' NE1' ' O ' ' A' ' 119' ' ' HIS . 6.5 t90 -115.49 130.16 56.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.122 . . . . 0.0 108.019 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.583 ' O ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -167.12 40.91 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.583 ' CG ' ' O ' ' A' ' 118' ' ' LYS . 1.4 m-70 171.9 162.02 0.25 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.622 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.511 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.1 Cg_endo -75.03 -8.69 23.85 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.98 -2.508 . . . . 0.0 111.005 0.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.497 ' N ' ' CD ' ' A' ' 121' ' ' GLN . 0.1 OUTLIER -155.61 47.04 0.5 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 110.318 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 5.1 p -43.49 125.34 3.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 109.99 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -175.05 -178.48 1.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.093 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 2.8 mt -48.29 -45.25 34.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.28 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.712 HD11 ' OD1' ' A' ' 27' ' ' ASN . 3.9 mm? -46.56 -66.35 0.42 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -54.34 -39.35 64.76 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.452 1.095 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.754 ' HG ' HD11 ' A' ' 114' ' ' LEU . 1.3 mt -53.18 -62.93 1.34 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.54 0.788 . . . . 0.0 109.257 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.1 mp -51.91 -32.0 14.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.4 1.063 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -54.37 -57.04 12.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.335 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.3 OUTLIER -54.12 -40.71 47.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.886 ' HE2' HD11 ' A' ' 109' ' ' ILE . 15.3 mtt -66.34 -25.0 66.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 3.3 mt -74.63 -33.99 33.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.133 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.403 ' O ' ' C ' ' A' ' 134' ' ' VAL . 48.6 t -88.72 -60.07 2.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.506 1.129 . . . . 0.0 109.268 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.472 HG12 ' CD1' ' A' ' 135' ' ' PHE . 4.0 t -39.96 -49.36 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.469 1.106 . . . . 0.0 109.221 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.604 ' CD2' ' O ' ' A' ' 131' ' ' MET . 13.7 m-30 -80.08 -32.58 39.25 Favored 'General case' 0 N--CA 1.446 -0.656 0 O-C-N 124.456 1.097 . . . . 0.0 111.091 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.92 -14.57 52.97 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.345 1.028 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -88.44 -46.89 8.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 0.763 . . . . 0.0 109.343 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -172.03 148.96 2.14 Favored Pre-proline 0 C--N 1.322 -0.597 0 O-C-N 124.831 1.332 . . . . 0.0 110.281 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.58 ' HB3' HD11 ' A' ' 70' ' ' ILE . 18.3 Cg_endo -74.97 113.28 3.76 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.424 1.749 . . . . 0.0 111.004 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.413 ' HB2' HG11 ' A' ' 103' ' ' VAL . 18.4 Cg_endo -74.96 -13.94 21.38 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.548 1.815 . . . . 0.0 111.12 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.439 ' CG1' ' HG2' ' A' ' 95' ' ' MET . 2.6 t -63.48 -18.58 22.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.829 1.331 . . . . 0.0 109.184 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -116.09 -178.23 3.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.254 0.971 . . . . 0.0 111.373 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 44.4 t -109.05 72.19 0.8 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.317 1.011 . . . . 0.0 110.075 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -135.31 113.7 11.33 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.187 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.219 0 O-C-N 124.116 1.587 . . . . 0.0 110.845 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.384 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.708 HG12 ' O ' ' A' ' 3' ' ' VAL . 42.6 t -142.53 61.51 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 O-C-N 124.285 0.99 . . . . 0.0 109.437 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.72 165.82 0.29 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.65 1.219 . . . . 0.0 110.002 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -53.49 -37.36 62.66 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.409 179.728 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 m -49.05 -39.81 28.84 Favored 'General case' 0 N--CA 1.444 -0.727 0 O-C-N 124.396 1.06 . . . . 0.0 109.996 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.9 tp-100 -77.74 -50.64 11.98 Favored 'General case' 0 N--CA 1.446 -0.637 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.551 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.559 ' O ' HG22 ' A' ' 12' ' ' VAL . 8.6 tp -59.0 -19.48 43.95 Favored 'General case' 0 C--N 1.315 -0.9 0 O-C-N 124.817 1.323 . . . . 0.0 109.463 179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' N ' ' O ' ' A' ' 5' ' ' GLU . 1.2 tttt -81.1 -48.46 12.12 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.559 1.162 . . . . 0.0 109.233 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.11 -23.21 67.34 Favored 'General case' 0 N--CA 1.451 -0.425 0 O-C-N 124.764 1.29 . . . . 0.0 109.217 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -82.22 -42.99 18.21 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.079 0.862 . . . . 0.0 110.82 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG22 ' O ' ' A' ' 8' ' ' LEU . 3.7 m -98.77 17.66 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.332 1.02 . . . . 0.0 109.53 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.6 OUTLIER -71.27 -7.18 45.22 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 114.876 -1.056 . . . . 0.0 109.509 -179.777 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.16 -37.69 11.45 Favored 'General case' 0 C--N 1.317 -0.823 0 O-C-N 125.087 1.492 . . . . 0.0 108.853 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.6 m-30 -47.56 123.26 5.58 Favored 'General case' 0 C--N 1.319 -0.754 0 O-C-N 124.62 1.2 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.8 tttt -56.72 -64.11 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.486 1.116 . . . . 0.0 109.524 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.574 ' C ' ' CD1' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -85.26 43.42 1.01 Allowed 'General case' 0 C--N 1.318 -0.803 0 O-C-N 124.998 1.436 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 19' ' ' ASP . 28.4 ptt180 -62.55 -39.8 94.79 Favored 'General case' 0 C--N 1.322 -0.627 0 O-C-N 124.456 1.098 . . . . 0.0 110.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 18' ' ' ARG . 1.5 t70 -56.35 -37.21 69.69 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.331 1.02 . . . . 0.0 109.421 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -76.72 -41.08 46.46 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.546 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 7.1 m -65.01 -45.26 86.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 6.0 t -62.84 -37.65 79.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 O-C-N 124.58 1.175 . . . . 0.0 109.486 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.5 ttt180 -74.67 -46.01 40.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.606 1.191 . . . . 0.0 110.4 179.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.667 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.8 OUTLIER -67.2 -38.11 84.77 Favored 'General case' 0 N--CA 1.448 -0.56 0 O-C-N 124.748 1.28 . . . . 0.0 110.384 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.41 ' CB ' ' O ' ' A' ' 21' ' ' THR . 5.0 m -64.38 -37.95 89.32 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.41 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.4 -42.42 90.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.563 1.164 . . . . 0.0 109.174 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 28' ' ' VAL . 36.2 t-20 -69.6 -53.85 16.83 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 24' ' ' GLU . 35.6 t -40.78 -61.14 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.764 0 O-C-N 124.653 1.221 . . . . 0.0 109.307 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.404 ' O ' ' C ' ' A' ' 32' ' ' TYR . 1.9 pt -61.01 -56.4 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 109.196 -179.752 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 m -42.8 -46.5 5.23 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.441 1.088 . . . . 0.0 110.137 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.535 HD13 HD23 ' A' ' 125' ' ' LEU . 0.3 OUTLIER -66.43 -45.84 78.52 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.546 1.154 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.499 ' CE1' HD11 ' A' ' 132' ' ' ILE . 61.4 m-85 -128.03 114.31 16.92 Favored 'General case' 0 C--N 1.322 -0.597 0 O-C-N 124.603 1.189 . . . . 0.0 111.028 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -87.78 61.24 6.34 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.606 1.191 . . . . 0.0 108.952 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 35' ' ' LEU . 21.4 p-10 -132.38 -51.15 0.94 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.682 1.239 . . . . 0.0 109.398 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.471 HD13 ' N ' ' A' ' 57' ' ' GLY . 3.4 mm? -67.62 117.33 9.41 Favored 'General case' 0 C--N 1.328 -0.342 0 O-C-N 124.643 1.214 . . . . 0.0 109.35 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 37' ' ' PRO . 0.1 OUTLIER -97.78 136.64 21.09 Favored Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 36' ' ' LYS . 19.6 Cg_endo -74.6 134.49 18.61 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.526 1.803 . . . . 0.0 111.336 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.75 159.35 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.561 0 O-C-N 124.482 1.114 . . . . 0.0 109.567 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -127.32 105.86 8.82 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.599 1.187 . . . . 0.0 109.088 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.403 ' O ' ' O ' ' A' ' 52' ' ' LEU . 19.5 t0 -129.67 127.83 41.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.357 1.036 . . . . 0.0 109.085 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.8 p -102.02 149.29 24.39 Favored 'General case' 0 N--CA 1.45 -0.459 0 O-C-N 124.725 1.265 . . . . 0.0 110.142 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -126.16 143.23 51.21 Favored 'General case' 0 C--N 1.321 -0.656 0 O-C-N 124.423 1.077 . . . . 0.0 110.911 -179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 6.0 p -96.81 145.24 9.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 O-C-N 124.831 1.332 . . . . 0.0 109.06 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' O ' ' N ' ' A' ' 46' ' ' ASP . 5.8 m-85 -89.19 31.77 0.87 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.595 1.185 . . . . 0.0 111.284 179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.44 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.9 m120 37.47 31.58 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.627 0 CA-C-N 114.843 -1.071 . . . . 0.0 109.431 179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.471 ' N ' ' O ' ' A' ' 44' ' ' PHE . 16.3 t0 170.51 -54.3 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.513 0 CA-C-N 114.802 -1.09 . . . . 0.0 109.104 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.0 -84.2 0.04 OUTLIER Glycine 0 CA--C 1.528 0.881 0 O-C-N 124.568 1.168 . . . . 0.0 111.162 179.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 40.3 t 178.8 173.89 0.7 Allowed 'General case' 0 C--N 1.327 -0.395 0 O-C-N 124.301 0.648 . . . . 0.0 109.766 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 p -89.49 100.62 13.38 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.586 1.178 . . . . 0.0 109.833 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -94.83 134.73 37.14 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 124.374 1.046 . . . . 0.0 110.449 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.529 ' C ' HD22 ' A' ' 52' ' ' LEU . 19.0 mt-10 -80.33 114.22 19.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.846 1.341 . . . . 0.0 110.122 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.618 HD12 ' O ' ' A' ' 76' ' ' LEU . 4.5 mm? -120.84 138.23 54.16 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.365 -0.834 . . . . 0.0 109.366 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.0 ttm -82.06 133.76 35.3 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -123.52 130.9 53.37 Favored 'General case' 0 C--N 1.318 -0.776 0 O-C-N 124.356 1.035 . . . . 0.0 109.271 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.569 HD12 HD21 ' A' ' 76' ' ' LEU . 21.3 mt -105.39 109.45 21.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.443 1.09 . . . . 0.0 109.429 179.761 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t -116.47 140.21 49.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.7 1.25 . . . . 0.0 110.444 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.471 ' N ' HD13 ' A' ' 35' ' ' LEU . . . -167.23 -170.73 32.44 Favored Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 5.2 p -131.01 117.9 19.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 0.823 . . . . 0.0 110.187 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.703 HG23 ' HD2' ' A' ' 60' ' ' PRO . 95.3 mt -93.74 142.04 24.58 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 109.446 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.703 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.9 Cg_endo -74.61 123.63 8.23 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.441 1.758 . . . . 0.0 111.203 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.695 HG22 ' O ' ' A' ' 135' ' ' PHE . 2.8 t -119.59 97.82 49.97 Favored Pre-proline 0 C--N 1.324 -0.543 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.83 94.97 0.95 Allowed 'Trans proline' 0 C--N 1.358 1.043 0 O-C-N 124.538 1.809 . . . . 0.0 111.033 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.552 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 2.3 t80 -96.54 90.8 5.49 Favored 'General case' 0 C--N 1.321 -0.662 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.552 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.2 OUTLIER 88.05 -33.66 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.593 0 O-C-N 124.415 1.072 . . . . 0.0 110.274 179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 165.34 -28.28 0.2 Allowed Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.412 1.07 . . . . 0.0 111.104 -179.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.482 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 1.7 p30 -75.59 148.49 38.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.602 0.824 . . . . 0.0 109.13 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 86.6 m -99.05 124.66 44.21 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.296 0.997 . . . . 0.0 110.359 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -107.94 157.73 17.95 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.464 1.102 . . . . 0.0 110.79 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.7 m-20 -114.82 75.71 0.95 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.88 -1.055 . . . . 0.0 109.327 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.708 HG21 ' HD2' ' A' ' 135' ' ' PHE . 15.4 mm -73.86 114.13 29.66 Favored Pre-proline 0 C--N 1.322 -0.59 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 134.1 17.45 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.543 1.812 . . . . 0.0 110.935 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.425 HD11 HD11 ' A' ' 35' ' ' LEU . 1.0 OUTLIER -130.75 151.78 36.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.054 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 21.9 t -133.97 135.13 43.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.489 1.118 . . . . 0.0 108.169 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.571 HD11 ' CB ' ' A' ' 85' ' ' PRO . 1.7 tm? -123.83 125.64 45.03 Favored 'General case' 0 N--CA 1.449 -0.507 0 O-C-N 124.342 1.026 . . . . 0.0 109.325 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . . . . . . . . . 90.7 m95 -96.87 123.88 40.7 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.505 1.128 . . . . 0.0 108.016 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.618 ' O ' HD12 ' A' ' 52' ' ' LEU . 3.7 mm? -93.37 174.13 7.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 1.02 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -148.69 174.78 11.81 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 109.235 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.573 ' OD2' ' CE2' ' A' ' 80' ' ' TYR . 13.1 p-10 -92.44 -38.11 12.16 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.346 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.448 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 8.9 t -176.76 -34.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.573 ' CE2' ' OD2' ' A' ' 78' ' ' ASP . 1.0 OUTLIER -101.06 162.29 21.02 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.56 1.163 . . . . 0.0 110.969 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.502 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 17.8 Cg_endo -74.64 -56.83 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.136 0 C-N-CA 121.227 -2.406 . . . . 0.0 111.074 -0.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.457 ' CB ' ' HD2' ' A' ' 84' ' ' PRO . 72.1 m-85 -71.99 -69.99 0.36 Allowed 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 124.422 1.076 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 1.02 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.7 OUTLIER 160.29 -49.43 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.618 0 O-C-N 124.559 1.162 . . . . 0.0 109.328 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.55 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -75.01 154.76 42.69 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.571 ' CB ' HD11 ' A' ' 74' ' ' LEU . 18.6 Cg_endo -74.91 166.01 30.16 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.492 1.785 . . . . 0.0 111.034 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.402 ' O ' HD22 ' A' ' 74' ' ' LEU . 2.3 mp -104.4 127.89 58.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.327 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.496 ' HB3' ' HE2' ' A' ' 131' ' ' MET . 75.3 m -76.37 141.87 41.36 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 108.27 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.556 ' CZ ' ' HB2' ' A' ' 108' ' ' LYS . 0.2 OUTLIER -154.38 161.43 41.74 Favored 'General case' 0 C--N 1.32 -0.685 0 O-C-N 124.597 1.186 . . . . 0.0 110.929 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.59 HG22 ' HA3' ' A' ' 107' ' ' GLY . 21.4 m -112.32 149.18 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.425 0 O-C-N 124.369 1.043 . . . . 0.0 109.228 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.5 tttp -122.41 77.85 45.2 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.437 ' HD3' HG23 ' A' ' 89' ' ' VAL . 18.4 Cg_endo -75.04 170.84 19.52 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.596 1.84 . . . . 0.0 110.961 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 82.6 p -116.01 -174.91 2.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.356 1.035 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -60.12 -45.11 94.09 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 124.45 1.094 . . . . 0.0 109.871 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.53 -51.76 47.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 110.142 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.25 176.71 1.26 Allowed 'General case' 0 C--N 1.321 -0.634 0 O-C-N 124.552 1.157 . . . . 0.0 111.227 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 142' ' ' PHE . 12.6 t -151.88 -155.82 0.65 Allowed 'General case' 0 C--N 1.322 -0.613 0 O-C-N 124.526 1.141 . . . . 0.0 110.503 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.419 ' N ' ' OG1' ' A' ' 96' ' ' THR . 19.8 mt -138.95 130.72 36.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 108.975 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 3.3 tmtt? -95.3 80.72 3.56 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 114.662 -1.154 . . . . 0.0 109.181 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.7 p -39.02 135.6 0.89 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.203 0.94 . . . . 0.0 110.345 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -165.72 -135.96 1.93 Allowed Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.701 1.251 . . . . 0.0 111.097 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.93 -71.03 0.54 Allowed 'General case' 0 C--N 1.32 -0.714 0 O-C-N 124.969 1.041 . . . . 0.0 109.364 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.796 ' CE1' HG23 ' A' ' 103' ' ' VAL . 10.8 p-80 -79.97 -23.55 41.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.51 1.131 . . . . 0.0 109.587 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.796 HG23 ' CE1' ' A' ' 102' ' ' HIS . 70.2 t -87.16 81.24 1.91 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 O-C-N 124.639 1.212 . . . . 0.0 109.377 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.33 -161.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.606 1.191 . . . . 0.0 109.535 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -89.58 -45.5 9.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.141 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -75.55 -12.25 60.18 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.559 1.162 . . . . 0.0 109.211 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.59 ' HA3' HG22 ' A' ' 89' ' ' VAL . . . 96.47 22.08 20.15 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.453 1.095 . . . . 0.0 110.918 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.556 ' HB2' ' CZ ' ' A' ' 88' ' ' PHE . 6.4 tttt -76.13 104.9 6.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 0.797 . . . . 0.0 109.299 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.469 ' HB ' ' CB ' ' A' ' 87' ' ' CYS . 21.6 mm -60.79 93.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.003 -0.999 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -96.94 84.52 3.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 111.014 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.44 ' HB2' ' CD2' ' A' ' 114' ' ' LEU . 28.4 mt -92.49 112.79 57.09 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -17.3 19.77 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.489 1.783 . . . . 0.0 110.948 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -71.05 -39.08 72.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.54 ' O ' HD12 ' A' ' 114' ' ' LEU . 1.4 pp -91.13 -5.77 54.58 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.507 1.13 . . . . 0.0 109.307 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 3.0 t-160 -77.22 -42.06 38.84 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.603 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -99.98 23.92 9.21 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.561 1.163 . . . . 0.0 110.3 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.565 ' CE2' ' HB3' ' A' ' 122' ' ' SER . 6.4 t90 -129.49 -70.36 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.025 -1.102 . . . . 0.0 108.025 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.588 ' HD2' ' CD2' ' A' ' 119' ' ' HIS . 0.0 OUTLIER 30.8 92.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.522 1.139 . . . . 0.0 109.351 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.625 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 59.8 166.73 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.579 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.625 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.3 Cg_endo -75.02 -47.8 0.3 Allowed 'Cis proline' 0 C--N 1.36 1.179 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.913 0.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -38.28 -42.41 0.7 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.529 1.143 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.565 ' HB3' ' CE2' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -83.32 157.72 22.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.969 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -179.49 174.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.555 1.159 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -40.9 -46.82 2.85 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.437 1.086 . . . . 0.0 109.193 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.535 HD23 HD13 ' A' ' 31' ' ' LEU . 2.5 mp -62.7 -53.52 53.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.19 -35.02 68.35 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.418 ' O ' HG12 ' A' ' 130' ' ' VAL . 35.9 mt -54.54 -72.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 109.378 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.449 ' H ' HD12 ' A' ' 128' ' ' ILE . 3.3 mp -49.97 -23.15 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 109.272 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -61.15 -58.38 8.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.418 HG12 ' O ' ' A' ' 127' ' ' LEU . 0.5 OUTLIER -50.04 -43.93 21.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.496 ' HE2' ' HB3' ' A' ' 87' ' ' CYS . 48.6 mtt -62.16 -52.27 64.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 110.965 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.499 HD11 ' CE1' ' A' ' 32' ' ' TYR . 1.9 mt -45.39 -32.69 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.257 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 134' ' ' VAL . 96.9 t -92.05 -63.41 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 133' ' ' VAL . 6.2 t -40.05 -43.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.364 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.708 ' HD2' HG21 ' A' ' 70' ' ' ILE . 7.9 m-85 -88.4 -30.52 19.42 Favored 'General case' 0 N--CA 1.449 -0.521 0 O-C-N 124.458 1.099 . . . . 0.0 110.947 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -63.3 -23.66 66.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.433 1.083 . . . . 0.0 111.037 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.98 -51.13 6.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.505 0.767 . . . . 0.0 109.319 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -157.77 152.97 21.65 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 110.289 179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.5 ' HD3' ' CD1' ' A' ' 63' ' ' TYR . 17.8 Cg_endo -75.34 122.57 7.12 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.65 1.868 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.7 -20.0 18.06 Favored 'Trans proline' 0 C--N 1.362 1.255 0 O-C-N 124.49 1.784 . . . . 0.0 111.298 179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 18.1 m -91.61 124.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 O-C-N 124.901 1.376 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 96' ' ' THR . 7.6 t80 -176.97 177.01 1.34 Allowed 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.326 1.016 . . . . 0.0 110.91 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -113.69 48.81 1.03 Allowed 'General case' 0 N--CA 1.451 -0.397 0 O-C-N 124.356 1.035 . . . . 0.0 109.942 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . 0.506 ' HB2' ' CE2' ' A' ' 142' ' ' PHE . 4.5 ttm-85 -156.0 87.61 3.0 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.674 1.234 . . . . 0.0 110.059 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 N--CA 1.447 -1.233 0 O-C-N 124.695 1.892 . . . . 0.0 111.034 179.954 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.488 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.713 ' O ' HG13 ' A' ' 3' ' ' VAL . 8.0 p -73.17 75.77 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.742 1.276 . . . . 0.0 109.232 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.51 -20.38 13.39 Favored 'General case' 0 N--CA 1.447 -0.61 0 O-C-N 124.45 1.094 . . . . 0.0 110.011 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -54.77 -50.59 68.09 Favored 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.035 -0.984 . . . . 0.0 110.158 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.6 p -60.72 -43.48 97.8 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.276 0.985 . . . . 0.0 110.279 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -57.74 -48.02 80.82 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 114.773 -1.103 . . . . 0.0 110.267 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.78 ' O ' HG13 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -48.61 -50.41 32.78 Favored 'General case' 0 C--N 1.317 -0.816 0 O-C-N 124.275 0.984 . . . . 0.0 109.292 179.818 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' HA ' HG22 ' A' ' 12' ' ' VAL . 1.4 tttp -51.24 -47.19 62.47 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.383 1.052 . . . . 0.0 109.238 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -58.42 -23.43 57.31 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.627 ' HE2' HD23 ' A' ' 39' ' ' LEU . 11.2 tmm? -87.96 -42.01 12.76 Favored 'General case' 0 N--CA 1.449 -0.505 0 O-C-N 124.418 1.074 . . . . 0.0 111.177 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.78 HG13 ' O ' ' A' ' 8' ' ' LEU . 1.1 m -69.74 -7.8 9.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.451 1.095 . . . . 0.0 109.243 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.1 m -65.6 -15.28 62.58 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.715 -179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.85 -31.21 10.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.471 ' CD1' ' OD2' ' A' ' 78' ' ' ASP . 1.5 m-85 -48.19 119.52 3.0 Favored 'General case' 0 N--CA 1.45 -0.445 0 O-C-N 124.337 1.023 . . . . 0.0 111.044 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.09 -47.12 23.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.52 ' CZ ' ' OG1' ' A' ' 79' ' ' THR . 10.2 m-85 -90.63 40.23 1.01 Allowed 'General case' 0 C--N 1.322 -0.594 0 O-C-N 124.634 1.209 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.548 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.9 tmm_? -52.69 -46.27 67.21 Favored 'General case' 0 C--N 1.321 -0.664 0 O-C-N 124.254 0.971 . . . . 0.0 110.085 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -62.95 -50.53 70.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.54 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD23 ' OE2' ' A' ' 24' ' ' GLU . 0.1 OUTLIER -58.41 -52.84 63.92 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 114.784 -1.098 . . . . 0.0 109.235 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 8.8 m -57.34 -54.49 46.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 110.455 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 18' ' ' ARG . 44.4 t -55.49 -43.62 72.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 O-C-N 124.594 1.184 . . . . 0.0 109.143 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.1 ttt-85 -65.61 -48.83 70.93 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.484 ' OE2' HD23 ' A' ' 20' ' ' LEU . 0.3 OUTLIER -63.32 -40.22 96.73 Favored 'General case' 0 C--N 1.32 -0.681 0 O-C-N 124.734 1.271 . . . . 0.0 110.288 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.0 m -62.82 -59.16 5.25 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.603 1.189 . . . . 0.0 110.339 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.454 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -42.68 -44.02 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 O-C-N 124.839 1.337 . . . . 0.0 109.121 -179.937 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.439 HD21 HD21 ' A' ' 125' ' ' LEU . 10.7 t-20 -69.93 -55.63 9.16 Favored 'General case' 0 C--N 1.321 -0.669 0 O-C-N 124.7 1.25 . . . . 0.0 109.275 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.447 HG21 HD13 ' A' ' 124' ' ' LEU . 2.6 t -41.65 -57.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 114.903 -1.044 . . . . 0.0 109.284 -179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.431 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.2 pt -63.82 -56.58 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.527 1.142 . . . . 0.0 109.19 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.454 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 3.3 m -43.27 -45.32 5.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.339 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' HB3' ' CD1' ' A' ' 32' ' ' TYR . 0.4 OUTLIER -74.53 -45.54 45.06 Favored 'General case' 0 C--N 1.321 -0.655 0 O-C-N 124.703 1.252 . . . . 0.0 109.152 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.497 ' CD1' ' HB3' ' A' ' 31' ' ' LEU . 84.7 m-85 -124.41 91.55 3.47 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 0.0 111.005 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.2 mmtt -59.83 -47.34 86.12 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.63 1.206 . . . . 0.0 108.873 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -40.61 -36.21 0.56 Allowed 'General case' 0 C--N 1.327 -0.398 0 O-C-N 124.333 1.021 . . . . 0.0 109.08 -179.219 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.2 mp -71.68 131.03 42.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.371 1.044 . . . . 0.0 109.3 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -125.0 129.77 24.44 Favored Pre-proline 0 N--CA 1.449 -0.483 0 O-C-N 124.435 1.085 . . . . 0.0 109.614 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -74.39 136.77 22.24 Favored 'Trans proline' 0 N--CA 1.449 -1.12 0 O-C-N 124.216 1.64 . . . . 0.0 111.566 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 1.6 t -132.97 154.46 39.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 O-C-N 124.09 0.869 . . . . 0.0 109.224 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.848 HD22 ' N ' ' A' ' 40' ' ' ASP . 0.1 OUTLIER -130.1 115.99 17.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.512 1.132 . . . . 0.0 109.138 179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.848 ' N ' HD22 ' A' ' 39' ' ' LEU . 35.2 t70 -137.47 133.54 34.77 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.737 1.273 . . . . 0.0 109.372 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 50' ' ' ARG . 13.4 p -82.36 123.65 29.29 Favored 'General case' 0 C--N 1.321 -0.644 0 O-C-N 124.76 1.287 . . . . 0.0 110.085 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -100.53 144.54 29.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 124.539 1.149 . . . . 0.0 111.204 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.5 m -99.09 148.0 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.527 0 O-C-N 124.374 1.046 . . . . 0.0 109.723 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -95.47 68.13 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.349 1.031 . . . . 0.0 110.959 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 10.6 t30 56.36 37.54 28.92 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.425 1.078 . . . . 0.0 109.136 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.406 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 0.3 OUTLIER 75.74 23.58 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.169 0.918 . . . . 0.0 109.184 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' O ' ' CB ' ' A' ' 48' ' ' SER . . . -98.25 -11.18 49.55 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.177 0.923 . . . . 0.0 111.082 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.437 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 0.6 OUTLIER 164.34 -173.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.411 0.713 . . . . 0.0 110.288 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.2 p -150.17 120.22 7.21 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 124.769 1.293 . . . . 0.0 109.754 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.414 ' O ' ' HA ' ' A' ' 41' ' ' SER . 0.0 OUTLIER -128.76 149.42 50.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.872 -1.058 . . . . 0.0 110.552 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.543 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.3 OUTLIER -84.04 116.33 22.8 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.616 1.197 . . . . 0.0 110.468 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.543 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.1 mm? -126.95 134.96 50.29 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 124.85 1.344 . . . . 0.0 109.58 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.727 ' HB2' HD11 ' A' ' 8' ' ' LEU . 3.8 ppp? -80.28 137.3 36.6 Favored 'General case' 0 C--N 1.318 -0.782 0 O-C-N 124.027 0.829 . . . . 0.0 110.973 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 14.2 p-10 -125.22 121.07 33.07 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.504 ' HB2' HD21 ' A' ' 74' ' ' LEU . 0.7 OUTLIER -91.91 116.61 29.06 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.412 ' HG1' ' HG ' ' A' ' 73' ' ' CYS . 54.7 m -121.16 148.22 44.51 Favored 'General case' 0 N--CA 1.449 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 110.441 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 177.0 -175.66 47.77 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.57 1.169 . . . . 0.0 111.042 179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 2.9 p -133.24 122.88 24.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.606 0.827 . . . . 0.0 110.491 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.545 HG22 ' CG1' ' A' ' 61' ' ' VAL . 35.1 mt -89.25 115.79 64.61 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.385 1.053 . . . . 0.0 109.095 -179.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.468 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 18.0 Cg_endo -75.44 94.76 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.51 1.795 . . . . 0.0 110.667 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.545 ' CG1' HG22 ' A' ' 59' ' ' ILE . 5.0 m -111.34 146.46 34.64 Favored Pre-proline 0 C--N 1.327 -0.398 0 O-C-N 124.745 1.278 . . . . 0.0 109.072 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.46 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.9 Cg_endo -74.61 123.94 8.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.609 1.847 . . . . 0.0 111.163 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.663 ' CD2' ' CE1' ' A' ' 68' ' ' TYR . 16.0 t80 -93.55 -49.69 5.77 Favored 'General case' 0 C--N 1.32 -0.678 0 O-C-N 124.361 1.038 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.482 ' HG2' ' CD2' ' A' ' 63' ' ' TYR . 0.4 OUTLIER -163.1 72.25 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.612 1.195 . . . . 0.0 110.296 -179.879 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 82.87 -15.14 33.5 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.538 1.149 . . . . 0.0 111.016 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 11.7 m120 -117.25 177.81 4.59 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.535 0.785 . . . . 0.0 109.206 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 18.1 m -104.14 132.67 50.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.411 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.663 ' CE1' ' CD2' ' A' ' 63' ' ' TYR . 0.2 OUTLIER -109.43 156.93 19.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.902 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -111.26 100.13 8.82 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.346 1.029 . . . . 0.0 109.252 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.586 HG21 ' CD2' ' A' ' 135' ' ' PHE . 8.9 mm -92.63 112.34 55.18 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 114.59 -1.186 . . . . 0.0 109.269 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 114.71 4.08 Favored 'Trans proline' 0 C--N 1.358 1.032 0 O-C-N 124.33 1.7 . . . . 0.0 110.741 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 59' ' ' ILE . 2.5 pp -124.36 140.58 47.23 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 O-C-N 124.416 1.073 . . . . 0.0 109.421 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.559 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 50.4 t -149.99 138.85 20.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 108.227 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.622 ' O ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -140.36 159.59 41.86 Favored 'General case' 0 N--CA 1.446 -0.629 0 O-C-N 124.331 1.019 . . . . 0.0 109.386 179.65 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.472 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 50.9 m95 -115.79 144.45 43.97 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.56 HD22 ' SD ' ' A' ' 53' ' ' MET . 10.3 mp -110.7 -177.92 3.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.579 1.175 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.934 HD11 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -142.3 -172.81 3.68 Favored 'General case' 0 N--CA 1.447 -0.58 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.493 ' O ' ' CB ' ' A' ' 79' ' ' THR . 1.2 m-20 -109.94 -23.0 11.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.52 ' OG1' ' CZ ' ' A' ' 17' ' ' TYR . 0.8 OUTLIER 167.17 -29.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.462 1.102 . . . . 0.0 110.419 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.493 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.2 OUTLIER -149.77 164.62 20.1 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.583 1.177 . . . . 0.0 110.92 179.824 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.4 Cg_endo -74.88 -58.38 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.205 0 C-N-CA 121.021 -2.491 . . . . 0.0 110.947 -0.328 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.45 ' O ' ' HG ' ' A' ' 77' ' ' LEU . 4.0 m-85 -71.29 98.15 1.7 Allowed 'General case' 0 C--N 1.322 -0.602 0 O-C-N 124.84 1.337 . . . . 0.0 110.909 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.934 ' O ' HD11 ' A' ' 77' ' ' LEU . 8.3 t-20 -50.38 -45.72 83.93 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.399 1.062 . . . . 0.0 109.149 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.4 Cg_endo -74.91 142.66 28.44 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.501 1.79 . . . . 0.0 110.997 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.472 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.1 Cg_endo -75.09 163.99 34.07 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.476 1.777 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.2 mp -104.32 104.25 16.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . . . . . . . . . 58.5 m -87.34 133.8 33.66 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.545 1.153 . . . . 0.0 108.255 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD1' ' O ' ' A' ' 73' ' ' CYS . 3.2 p90 -159.43 147.64 17.6 Favored 'General case' 0 C--N 1.321 -0.636 0 O-C-N 124.618 1.199 . . . . 0.0 111.019 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.483 HG23 HD11 ' A' ' 97' ' ' ILE . 23.2 m -91.27 123.13 43.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.043 -0.98 . . . . 0.0 109.31 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.8 ttmt -66.29 117.87 47.68 Favored Pre-proline 0 C--N 1.327 -0.412 0 O-C-N 124.31 1.006 . . . . 0.0 109.184 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.482 ' HB3' HD13 ' A' ' 97' ' ' ILE . 17.9 Cg_endo -75.17 168.24 25.14 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.21 1.637 . . . . 0.0 111.084 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 91' ' ' PRO . 2.2 p -151.61 177.99 9.78 Favored 'General case' 0 C--N 1.318 -0.766 0 O-C-N 124.95 1.406 . . . . 0.0 110.43 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.0 m -80.88 -42.28 21.72 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.968 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.97 -58.87 5.86 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.961 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -76.96 166.34 23.45 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.392 1.058 . . . . 0.0 110.69 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 97' ' ' ILE . 0.9 OUTLIER -113.1 -15.81 12.73 Favored 'General case' 0 C--N 1.327 -0.373 0 O-C-N 124.491 1.119 . . . . 0.0 110.496 179.748 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.502 ' CG2' ' O ' ' A' ' 97' ' ' ILE . 0.1 OUTLIER 58.27 111.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.091 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -100.24 156.26 17.32 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 103' ' ' VAL . 28.0 p -89.39 158.17 17.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.333 1.02 . . . . 0.0 110.558 179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.866 ' N ' HG23 ' A' ' 103' ' ' VAL . . . -156.97 -151.68 6.07 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.681 1.238 . . . . 0.0 110.925 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.02 -32.8 63.52 Favored 'General case' 0 C--N 1.321 -0.649 0 O-C-N 124.339 0.67 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.545 ' CD2' HD21 ' A' ' 111' ' ' LEU . 2.7 p80 -118.35 -44.96 2.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.554 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.909 HG11 ' CB ' ' A' ' 140' ' ' PRO . 6.4 m -60.03 101.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 109.083 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -72.8 -172.62 1.04 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.404 1.065 . . . . 0.0 109.514 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -69.61 -23.64 63.54 Favored 'General case' 0 C--N 1.322 -0.592 0 O-C-N 124.814 1.321 . . . . 0.0 109.463 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -95.89 -23.71 16.76 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.627 1.204 . . . . 0.0 109.195 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.416 ' CA ' HG22 ' A' ' 89' ' ' VAL . . . 115.4 -12.83 18.81 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.641 1.213 . . . . 0.0 111.07 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.3 ttpt -52.92 113.83 1.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.68 0.871 . . . . 0.0 109.323 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -91.49 107.16 18.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 O-C-N 124.429 1.081 . . . . 0.0 109.143 -179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.9 p90 -103.62 42.08 1.21 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 110.954 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.545 HD21 ' CD2' ' A' ' 102' ' ' HIS . 4.0 mt -44.18 157.21 0.3 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -16.87 20.06 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.465 1.771 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -71.33 -52.53 18.28 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 pp -64.03 -39.04 93.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -58.58 -51.58 69.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 0.0 109.6 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -96.99 36.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.655 ' CZ3' HD22 ' A' ' 127' ' ' LEU . 5.5 t90 -80.81 99.57 8.35 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.599 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -130.22 5.74 4.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.41 1.069 . . . . 0.0 109.334 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.599 ' CG ' ' C ' ' A' ' 118' ' ' LYS . 0.0 OUTLIER 55.11 164.18 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.628 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.584 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.4 Cg_endo -75.07 -30.81 5.74 Favored 'Cis proline' 0 C--N 1.36 1.17 0 C-N-CA 120.949 -2.521 . . . . 0.0 111.03 -0.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.492 ' C ' ' O ' ' A' ' 120' ' ' PRO . 0.7 OUTLIER -29.98 -61.75 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.262 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB3' ' CD1' ' A' ' 117' ' ' TRP . 4.8 m -80.84 162.26 24.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.008 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 177.77 169.77 0.68 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -65.72 -39.56 91.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.461 1.1 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.439 HD21 HD21 ' A' ' 27' ' ' ASN . 6.8 mp -59.63 -57.97 10.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.236 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -57.78 -34.45 70.94 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.531 1.144 . . . . 0.0 110.973 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.655 HD22 ' CZ3' ' A' ' 117' ' ' TRP . 1.4 mp -59.18 -41.48 88.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 0.767 . . . . 0.0 109.329 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -85.28 -37.56 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.627 ' O ' HG22 ' A' ' 132' ' ' ILE . 1.4 tt0 -58.91 -54.99 40.86 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 110.207 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.475 ' CG1' ' N ' ' A' ' 131' ' ' MET . 1.0 OUTLIER -44.99 -47.96 2.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.556 ' HG2' ' CE1' ' A' ' 135' ' ' PHE . 24.7 mtt -57.0 -51.0 70.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.627 HG22 ' O ' ' A' ' 129' ' ' GLN . 1.5 tt -45.47 -32.17 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.361 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.478 HG23 HG22 ' A' ' 132' ' ' ILE . 53.0 t -92.26 -61.5 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 3.1 t -42.49 -42.11 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.288 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.586 ' CD2' HG21 ' A' ' 70' ' ' ILE . 8.2 m-85 -90.07 -29.16 18.54 Favored 'General case' 0 N--CA 1.446 -0.674 0 O-C-N 124.442 1.089 . . . . 0.0 111.195 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -62.18 -29.27 72.45 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.393 1.058 . . . . 0.0 111.007 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.18 -26.59 22.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.371 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 178.73 119.48 0.2 Allowed Pre-proline 0 N--CA 1.45 -0.458 0 O-C-N 124.295 0.997 . . . . 0.0 110.42 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.442 ' HA ' ' HD3' ' A' ' 140' ' ' PRO . 19.1 Cg_endo -74.73 146.32 33.71 Favored 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.707 1.898 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.909 ' CB ' HG11 ' A' ' 103' ' ' VAL . 18.2 Cg_endo -74.93 -30.11 7.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.5 1.789 . . . . 0.0 111.022 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . . . . . . . . . 3.9 m -74.72 125.33 34.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 O-C-N 125.123 1.514 . . . . 0.0 109.22 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.574 ' CD1' ' N ' ' A' ' 143' ' ' SER . 0.1 OUTLIER -135.93 166.04 24.26 Favored 'General case' 0 CA--C 1.537 0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.844 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.574 ' N ' ' CD1' ' A' ' 142' ' ' PHE . 1.1 t 179.62 38.7 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.888 1.367 . . . . 0.0 110.227 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 7.8 ttm105 -115.83 89.26 23.35 Favored Pre-proline 0 C--O 1.235 0.292 0 O-C-N 124.7 1.25 . . . . 0.0 110.409 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo . . . . . 0 C--N 1.359 1.121 0 O-C-N 124.674 1.881 . . . . 0.0 110.986 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 4' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.39 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.455 ' O ' ' CB ' ' A' ' 4' ' ' SER . 41.3 t 70.27 -58.73 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.634 1.209 . . . . 0.0 108.918 179.751 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.455 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.8 OUTLIER 81.78 139.92 0.07 Allowed 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.188 -179.491 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -55.37 -37.27 67.3 Favored 'General case' 0 N--CA 1.446 -0.632 0 O-C-N 124.895 1.372 . . . . 0.0 110.391 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -51.67 -41.72 61.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 109.689 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.48 ' O ' ' CG ' ' A' ' 11' ' ' MET . 3.4 tt0 -74.07 -51.23 16.42 Favored 'General case' 0 C--N 1.319 -0.726 0 O-C-N 124.636 1.21 . . . . 0.0 110.188 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.22 -38.14 17.67 Favored 'General case' 0 C--N 1.316 -0.853 0 O-C-N 124.654 1.221 . . . . 0.0 109.098 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 13' ' ' SER . 0.1 OUTLIER -65.14 -58.5 5.86 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.556 1.16 . . . . 0.0 109.255 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 60.2 mttt -60.8 -20.53 61.73 Favored 'General case' 0 N--CA 1.444 -0.738 0 O-C-N 124.396 1.06 . . . . 0.0 109.384 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.48 ' CG ' ' O ' ' A' ' 7' ' ' GLN . 0.4 OUTLIER -76.92 -43.08 36.85 Favored 'General case' 0 C--N 1.32 -0.71 0 O-C-N 124.742 1.276 . . . . 0.0 111.087 179.845 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 m -106.83 19.51 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 O-C-N 124.718 1.261 . . . . 0.0 109.349 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 9' ' ' LYS . 3.5 m -75.2 -19.57 59.74 Favored 'General case' 0 C--N 1.318 -0.762 0 O-C-N 124.637 1.211 . . . . 0.0 109.712 -179.559 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.1 mttm -82.23 -39.95 22.32 Favored 'General case' 0 C--N 1.319 -0.758 0 O-C-N 124.949 1.406 . . . . 0.0 109.459 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' CE2' ' O ' ' A' ' 77' ' ' LEU . 5.2 m-85 -40.71 132.39 2.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.96 -50.21 51.17 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.05 -179.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -94.49 38.07 1.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 110.852 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -51.27 -63.3 1.17 Allowed 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.379 1.05 . . . . 0.0 110.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.01 -33.79 8.42 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 124.464 1.103 . . . . 0.0 109.286 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -73.42 -49.26 27.92 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.395 1.06 . . . . 0.0 109.27 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -54.98 27.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.402 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 51.4 t -51.79 -45.38 38.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.4 ttt-85 -55.71 -53.46 56.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.381 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' HG2' HD23 ' A' ' 124' ' ' LEU . 1.2 mp0 -66.05 -34.5 78.22 Favored 'General case' 0 C--N 1.318 -0.777 0 O-C-N 124.869 1.356 . . . . 0.0 110.248 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.413 ' O ' HG12 ' A' ' 29' ' ' ILE . 18.5 m -67.86 -52.13 40.25 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.482 1.114 . . . . 0.0 110.435 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.54 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -57.59 -36.26 53.43 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.528 0 O-C-N 124.488 1.118 . . . . 0.0 109.363 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' CG ' HD11 ' A' ' 125' ' ' LEU . 57.1 t-20 -76.18 -51.99 11.0 Favored 'General case' 0 C--N 1.319 -0.737 0 O-C-N 124.686 1.241 . . . . 0.0 109.448 179.771 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.424 HG11 HD13 ' A' ' 55' ' ' LEU . 2.3 t -48.24 -43.58 12.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 26' ' ' VAL . 3.5 pt -76.67 -53.29 15.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.11 . . . . 0.0 109.221 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.485 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 5.6 m -49.5 -40.8 38.92 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.908 -1.042 . . . . 0.0 110.47 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.674 HD13 HD12 ' A' ' 125' ' ' LEU . 5.5 tt -64.2 -40.31 95.81 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.78 1.3 . . . . 0.0 109.288 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.635 ' CD2' HD23 ' A' ' 35' ' ' LEU . 0.1 OUTLIER -98.25 -172.11 2.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 111.005 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG2' ' C ' ' A' ' 32' ' ' TYR . 52.2 mmtt -146.75 55.34 1.12 Allowed 'General case' 0 N--CA 1.444 -0.729 0 O-C-N 124.646 1.216 . . . . 0.0 109.462 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -172.81 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.249 0.968 . . . . 0.0 109.47 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.635 HD23 ' CD2' ' A' ' 32' ' ' TYR . 3.6 mm? -62.44 117.64 6.45 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.823 -1.081 . . . . 0.0 109.304 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -120.49 145.09 39.9 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.103 . . . . 0.0 109.321 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.83 138.67 23.78 Favored 'Trans proline' 0 C--N 1.363 1.31 0 O-C-N 124.34 1.705 . . . . 0.0 110.819 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 39' ' ' LEU . 12.4 t -137.82 164.4 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.441 0 O-C-N 124.409 1.068 . . . . 0.0 109.31 179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.585 HD11 ' HB2' ' A' ' 51' ' ' GLU . 1.6 tm? -129.82 128.89 43.23 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.436 1.085 . . . . 0.0 109.219 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -143.29 121.52 12.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.697 1.248 . . . . 0.0 109.621 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.26 148.41 25.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.39 1.056 . . . . 0.0 110.277 -179.806 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -118.37 125.64 50.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 110.819 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.444 HG13 ' O ' ' A' ' 48' ' ' SER . 71.3 t -64.91 148.85 11.73 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 O-C-N 124.292 0.995 . . . . 0.0 109.257 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -124.76 143.18 50.93 Favored 'General case' 0 N--CA 1.451 -0.412 0 O-C-N 124.69 1.244 . . . . 0.0 110.849 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 65.25 -83.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.115 . . . . 0.0 108.819 179.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -176.6 40.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.977 -1.01 . . . . 0.0 109.246 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 176.8 -48.57 0.11 Allowed Glycine 0 CA--C 1.533 1.193 0 O-C-N 124.435 1.084 . . . . 0.0 111.039 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.444 ' O ' HG13 ' A' ' 43' ' ' VAL . 33.4 t -56.06 177.24 0.06 Allowed 'General case' 0 N--CA 1.451 -0.399 0 O-C-N 124.592 0.819 . . . . 0.0 109.498 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.3 t -179.37 149.72 0.41 Allowed 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 114.601 -1.181 . . . . 0.0 109.817 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -135.36 133.28 38.57 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.844 1.34 . . . . 0.0 110.029 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.677 ' C ' HD22 ' A' ' 52' ' ' LEU . 3.0 pt-20 -86.45 120.02 27.34 Favored 'General case' 0 N--CA 1.449 -0.5 0 O-C-N 124.425 1.078 . . . . 0.0 110.744 179.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.677 HD22 ' C ' ' A' ' 51' ' ' GLU . 4.6 mm? -129.48 125.17 35.77 Favored 'General case' 0 N--CA 1.446 -0.672 0 O-C-N 124.189 0.931 . . . . 0.0 109.427 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -66.32 148.07 52.39 Favored 'General case' 0 C--N 1.321 -0.646 0 O-C-N 125.063 1.477 . . . . 0.0 111.036 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -141.47 137.21 31.98 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.424 HD13 HG11 ' A' ' 28' ' ' VAL . 15.2 mt -96.62 113.27 24.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.453 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 m -119.66 130.16 54.92 Favored 'General case' 0 C--N 1.319 -0.733 0 O-C-N 124.942 1.402 . . . . 0.0 110.187 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.676 ' O ' HD13 ' A' ' 72' ' ' ILE . . . 178.31 175.44 45.43 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 38.4 p -120.38 159.26 25.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 0.768 . . . . 0.0 110.246 -179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 6.2 pt -128.61 145.91 57.97 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.645 1.216 . . . . 0.0 109.027 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.57 119.49 5.76 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.363 1.717 . . . . 0.0 111.215 179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 2.4 t -120.74 113.53 33.16 Favored Pre-proline 0 C--N 1.323 -0.566 0 O-C-N 124.486 1.116 . . . . 0.0 109.453 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.6 Cg_endo -75.04 108.95 2.84 Favored 'Trans proline' 0 C--N 1.362 1.267 0 O-C-N 124.645 1.866 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.52 ' O ' ' CB ' ' A' ' 64' ' ' ARG . 1.7 t80 -104.65 78.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 111.089 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' CB ' ' O ' ' A' ' 63' ' ' TYR . 0.0 OUTLIER 85.62 -15.75 0.49 Allowed 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.426 1.079 . . . . 0.0 110.297 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 153.67 -25.32 0.74 Allowed Glycine 0 CA--C 1.527 0.783 0 O-C-N 124.493 1.121 . . . . 0.0 111.172 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.441 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.3 OUTLIER -81.02 153.38 27.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.34 0.671 . . . . 0.0 109.356 -179.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 70.8 m -103.26 125.07 49.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.009 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -109.72 158.25 18.29 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 124.674 1.234 . . . . 0.0 110.97 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 34.4 m-20 -112.6 76.14 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.394 1.059 . . . . 0.0 109.354 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 139' ' ' PRO . 48.4 mm -66.42 112.99 10.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 -179.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 139.71 24.46 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 111.048 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.676 HD13 ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -143.56 141.48 25.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.349 1.031 . . . . 0.0 109.429 -179.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.54 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 9.4 t -126.75 145.66 50.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.414 1.071 . . . . 0.0 108.4 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -130.0 156.71 44.02 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.333 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.639 ' CD1' ' CE1' ' A' ' 88' ' ' PHE . 69.6 m95 -122.24 134.09 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.634 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.2 mm? -103.96 167.67 9.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.998 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -147.24 169.86 18.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 109.159 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -94.53 -36.94 11.62 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.9 t -166.66 -42.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.377 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.485 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.1 OUTLIER -92.18 166.02 18.43 Favored Pre-proline 0 C--N 1.327 -0.411 0 O-C-N 124.55 1.156 . . . . 0.0 111.167 179.862 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 18.1 Cg_endo -75.07 -43.64 0.66 Allowed 'Cis proline' 0 C--N 1.359 1.107 0 C-N-CA 121.026 -2.489 . . . . 0.0 110.799 -0.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -92.27 -63.28 1.26 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.59 1.181 . . . . 0.0 111.075 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.998 ' O ' HD21 ' A' ' 77' ' ' LEU . 0.3 OUTLIER 164.39 -51.49 0.0 OUTLIER Pre-proline 0 C--N 1.322 -0.608 0 O-C-N 124.285 0.99 . . . . 0.0 109.344 179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.52 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 17.9 Cg_endo -75.04 151.43 39.33 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.773 . . . . 0.0 110.962 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.461 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.99 169.99 21.4 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.557 1.819 . . . . 0.0 110.976 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.4 mp -104.34 144.1 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 131' ' ' MET . 59.7 m -116.33 129.73 56.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 108.347 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.639 ' CE1' ' CD1' ' A' ' 75' ' ' TRP . 4.3 p90 -151.55 141.71 22.26 Favored 'General case' 0 N--CA 1.449 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.64 HG23 HD11 ' A' ' 97' ' ' ILE . 10.6 m -67.68 176.11 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 O-C-N 124.371 1.044 . . . . 0.0 109.346 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' CE ' ' HD2' ' A' ' 91' ' ' PRO . 6.5 tptm -139.76 135.73 16.91 Favored Pre-proline 0 C--N 1.323 -0.571 0 O-C-N 124.61 1.194 . . . . 0.0 109.194 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.463 ' HD2' ' CE ' ' A' ' 90' ' ' LYS . 18.3 Cg_endo -75.23 164.31 33.18 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.597 1.84 . . . . 0.0 111.057 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.1 m -116.86 -151.93 0.49 Allowed 'General case' 0 N--CA 1.449 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 110.255 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.94 -56.09 2.3 Favored 'General case' 0 C--N 1.323 -0.577 0 O-C-N 124.854 1.346 . . . . 0.0 110.122 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -81.95 -42.98 18.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.688 1.242 . . . . 0.0 109.953 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.57 171.29 14.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.919 HG22 ' O ' ' A' ' 142' ' ' PHE . 13.2 t -119.89 -160.03 0.8 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.569 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.764 HG23 ' O ' ' A' ' 97' ' ' ILE . 2.2 tt -135.4 61.42 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 O-C-N 124.272 0.983 . . . . 0.0 109.29 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.437 ' O ' HG11 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -39.72 135.5 1.19 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.469 1.105 . . . . 0.0 109.168 -179.83 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.4 ' CG2' ' HA ' ' A' ' 105' ' ' ALA . 1.2 p -102.49 147.6 26.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.799 1.312 . . . . 0.0 110.494 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -152.27 -118.12 0.75 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.711 1.257 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 -70.17 0.74 Allowed 'General case' 0 N--CA 1.445 -0.698 0 O-C-N 124.413 0.714 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.97 ' CE1' HG23 ' A' ' 103' ' ' VAL . 11.1 p-80 -73.27 -30.63 63.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.46 1.1 . . . . 0.0 109.569 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.97 HG23 ' CE1' ' A' ' 102' ' ' HIS . 59.8 t -84.92 78.91 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 109.407 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.98 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 O-C-N 124.876 1.36 . . . . 0.0 109.415 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.4 ' HA ' ' CG2' ' A' ' 99' ' ' THR . . . -71.73 -34.4 69.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.647 1.217 . . . . 0.0 109.124 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -89.17 14.84 9.93 Favored 'General case' 0 C--N 1.319 -0.747 0 O-C-N 124.509 1.13 . . . . 0.0 109.412 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.628 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 60.46 20.77 56.22 Favored Glycine 0 CA--C 1.535 1.31 0 O-C-N 124.652 1.22 . . . . 0.0 110.968 179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -73.6 133.76 43.56 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.779 0.929 . . . . 0.0 109.309 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.474 ' CG2' HD12 ' A' ' 111' ' ' LEU . 22.1 mm -70.75 95.26 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 O-C-N 124.549 1.156 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -104.78 31.95 4.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 111.028 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.474 HD12 ' CG2' ' A' ' 109' ' ' ILE . 14.4 mt -44.83 156.29 0.36 Allowed Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.416 1.073 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -54.63 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.518 1.799 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.464 ' O ' ' N ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -46.03 -55.23 7.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.948 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.03 -54.64 4.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 39.2 t60 -51.36 -52.63 43.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.518 1.136 . . . . 0.0 109.631 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -89.53 26.16 1.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.511 ' CZ2' ' N ' ' A' ' 122' ' ' SER . 11.9 t90 -131.74 130.23 41.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 0.0 108.028 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.615 ' C ' ' CG ' ' A' ' 119' ' ' HIS . 0.0 OUTLIER -153.4 74.35 1.01 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 109.28 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.72 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER 61.1 170.71 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.596 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.72 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.8 Cg_endo -74.92 -48.07 0.28 Allowed 'Cis proline' 0 C--N 1.359 1.127 0 C-N-CA 120.969 -2.513 . . . . 0.0 111.075 -0.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.538 ' C ' ' O ' ' A' ' 120' ' ' PRO . 3.5 mt-30 -26.67 -53.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.511 ' N ' ' CZ2' ' A' ' 117' ' ' TRP . 51.6 p -42.96 130.83 4.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 109.962 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 127' ' ' LEU . 2.2 m-20 -178.92 170.97 1.46 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.525 HD13 ' HA ' ' A' ' 124' ' ' LEU . 1.8 mm? -56.8 -63.59 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.674 HD12 HD13 ' A' ' 31' ' ' LEU . 2.6 mm? -49.62 -52.45 30.45 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.37 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -60.76 -28.58 68.43 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.456 1.097 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 123' ' ' ASP . 4.8 mt -71.11 -37.52 72.36 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 0.756 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.413 ' O ' HD12 ' A' ' 132' ' ' ILE . 15.5 mm -75.61 -18.25 15.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.15 -54.24 8.99 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.1 . . . . 0.0 110.275 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.468 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.8 OUTLIER -55.06 -48.23 76.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 109.295 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.549 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 8.5 mtt -60.3 -40.92 92.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 111.07 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.413 HD12 ' O ' ' A' ' 128' ' ' ILE . 7.2 mt -58.32 -31.74 43.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 88.3 t -89.49 -60.71 2.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . 0.526 HG12 ' CD1' ' A' ' 135' ' ' PHE . 3.4 t -42.74 -47.54 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.349 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.549 ' CE2' ' HG2' ' A' ' 131' ' ' MET . 13.2 m-30 -83.96 -28.56 27.71 Favored 'General case' 0 N--CA 1.446 -0.673 0 O-C-N 124.482 1.114 . . . . 0.0 111.085 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -59.47 -33.34 76.02 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.338 1.023 . . . . 0.0 110.985 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.8 -43.82 44.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 0.763 . . . . 0.0 109.376 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -177.96 138.53 0.39 Allowed Pre-proline 0 N--CA 1.448 -0.565 0 O-C-N 124.351 1.032 . . . . 0.0 110.364 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.457 ' HB3' ' CD1' ' A' ' 70' ' ' ILE . 20.3 Cg_endo -74.55 151.6 42.12 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.595 ' HB3' HG21 ' A' ' 103' ' ' VAL . 18.4 Cg_endo -75.22 -32.04 5.45 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.381 1.727 . . . . 0.0 111.06 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.41 HG12 ' HA ' ' A' ' 97' ' ' ILE . 24.9 m -74.48 123.24 29.54 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 O-C-N 124.537 1.148 . . . . 0.0 109.235 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.919 ' O ' HG22 ' A' ' 96' ' ' THR . 0.0 OUTLIER -128.46 167.97 16.3 Favored 'General case' 0 N--CA 1.451 -0.413 0 O-C-N 124.288 0.993 . . . . 0.0 110.874 -179.802 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.584 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 1.1 p 175.11 50.8 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.694 1.246 . . . . 0.0 109.984 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.79 97.48 0.04 OUTLIER Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.576 1.172 . . . . 0.0 110.256 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.358 1.055 0 O-C-N 124.587 1.835 . . . . 0.0 110.944 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.309 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.462 ' O ' ' CB ' ' A' ' 4' ' ' SER . 3.4 p -175.76 -50.34 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 O-C-N 124.438 1.086 . . . . 0.0 109.388 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.462 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 1.9 t 82.54 142.8 0.07 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.336 1.022 . . . . 0.0 110.274 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -51.61 -44.59 62.92 Favored 'General case' 0 C--N 1.317 -0.818 0 O-C-N 124.888 1.367 . . . . 0.0 110.458 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 m -52.06 -52.75 49.01 Favored 'General case' 0 C--N 1.327 -0.379 0 O-C-N 124.51 1.131 . . . . 0.0 109.926 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -70.18 -48.86 55.42 Favored 'General case' 0 C--N 1.318 -0.789 0 O-C-N 124.55 1.156 . . . . 0.0 110.509 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.3 tp -49.3 -51.39 34.35 Favored 'General case' 0 C--N 1.319 -0.753 0 O-C-N 124.74 1.275 . . . . 0.0 109.045 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.488 ' HA ' HG22 ' A' ' 12' ' ' VAL . 6.5 ttpt -54.3 -45.92 72.65 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 124.521 1.138 . . . . 0.0 109.155 -179.757 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.49 -21.8 64.52 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.955 1.41 . . . . 0.0 109.191 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -91.76 -37.05 13.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.655 1.222 . . . . 0.0 111.126 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG22 ' HA ' ' A' ' 9' ' ' LYS . 17.4 m -99.57 19.51 2.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.452 1.095 . . . . 0.0 109.458 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.4 OUTLIER -79.81 -2.45 43.4 Favored 'General case' 0 C--N 1.32 -0.682 0 O-C-N 124.831 1.332 . . . . 0.0 109.793 -179.845 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 26.0 tttt -100.61 -19.45 16.11 Favored 'General case' 0 C--N 1.322 -0.603 0 O-C-N 124.867 1.354 . . . . 0.0 109.043 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 3.7 m-30 -61.11 133.6 56.18 Favored 'General case' 0 N--CA 1.449 -0.496 0 O-C-N 124.402 1.064 . . . . 0.0 111.225 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -70.67 -37.38 73.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.332 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' LEU . 25.4 m-85 -104.22 25.7 9.75 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.467 1.104 . . . . 0.0 111.115 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.4 tmm_? -42.08 -66.21 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 O-C-N 124.777 1.298 . . . . 0.0 110.475 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -43.6 -31.75 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -78.12 -50.5 11.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.39 1.056 . . . . 0.0 109.273 179.969 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 4.8 m -60.42 -48.03 83.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 0.0 110.396 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.6 t -56.69 -44.67 81.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -54.99 -52.34 63.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.806 ' O ' HG23 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -62.14 -37.31 84.69 Favored 'General case' 0 C--N 1.322 -0.61 0 O-C-N 124.363 1.039 . . . . 0.0 110.377 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.8 m -70.01 -37.34 75.64 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 110.425 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.406 ' HA ' HD11 ' A' ' 29' ' ' ILE . 0.5 OUTLIER -68.58 -40.83 82.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 O-C-N 124.347 1.029 . . . . 0.0 109.181 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.408 ' OD1' ' C ' ' A' ' 27' ' ' ASN . 3.0 t-20 -72.75 -48.78 35.59 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.375 1.047 . . . . 0.0 109.255 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.806 HG23 ' O ' ' A' ' 24' ' ' GLU . 24.3 t -47.21 -55.68 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 O-C-N 124.77 1.294 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.406 HD11 ' HA ' ' A' ' 26' ' ' VAL . 2.5 pt -65.43 -52.57 50.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.1 m -47.33 -42.82 22.12 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.755 1.285 . . . . 0.0 110.438 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.69 -40.41 72.92 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.564 1.165 . . . . 0.0 109.353 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.706 ' OH ' HD11 ' A' ' 132' ' ' ILE . 11.4 m-85 -129.07 109.13 10.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.541 1.151 . . . . 0.0 111.25 179.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.7 mmtt -83.0 58.27 4.31 Favored 'General case' 0 N--CA 1.449 -0.487 0 O-C-N 124.559 1.162 . . . . 0.0 109.634 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -139.81 -48.01 0.46 Allowed 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 114.717 -1.129 . . . . 0.0 109.236 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 3.4 mp -66.5 125.9 27.15 Favored 'General case' 0 N--CA 1.453 -0.283 0 O-C-N 124.633 1.208 . . . . 0.0 109.262 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -109.63 144.46 29.93 Favored Pre-proline 0 N--CA 1.447 -0.594 0 O-C-N 124.529 1.143 . . . . 0.0 109.763 179.653 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -74.69 141.85 28.15 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 O-C-N 124.302 1.685 . . . . 0.0 110.92 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.527 HG12 ' N ' ' A' ' 39' ' ' LEU . 45.2 t -130.7 168.12 24.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.728 1.267 . . . . 0.0 109.272 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' N ' HG12 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -140.63 120.94 13.95 Favored 'General case' 0 C--N 1.32 -0.708 0 O-C-N 124.316 1.01 . . . . 0.0 109.31 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -136.72 115.47 12.12 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.943 1.402 . . . . 0.0 109.674 179.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 51.6 p -85.56 129.38 34.83 Favored 'General case' 0 C--N 1.321 -0.672 0 O-C-N 124.722 1.264 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -108.6 123.94 49.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 1.08 . . . . 0.0 110.89 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.78 167.13 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.412 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 -114.79 72.2 0.78 Allowed 'General case' 0 C--N 1.322 -0.617 0 O-C-N 124.545 1.153 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.527 ' O ' ' CB ' ' A' ' 46' ' ' ASP . 4.8 m120 53.93 25.48 5.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.023 -0.99 . . . . 0.0 109.48 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 45' ' ' ASN . 6.6 t0 83.95 26.6 0.1 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.073 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.15 -17.29 16.34 Favored Glycine 0 CA--C 1.533 1.197 0 O-C-N 124.422 1.076 . . . . 0.0 110.864 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . . . . . . . . . 73.5 p 177.77 178.67 0.32 Allowed 'General case' 0 C--N 1.322 -0.6 0 O-C-N 124.44 0.729 . . . . 0.0 110.297 179.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 13.1 p -134.98 105.5 6.4 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.776 1.297 . . . . 0.0 109.992 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.734 ' HE ' HD21 ' A' ' 52' ' ' LEU . 5.0 ttp180 -99.78 144.39 28.91 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.072 -179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.58 ' C ' HD22 ' A' ' 52' ' ' LEU . 13.4 mt-10 -95.79 118.35 32.29 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.306 1.004 . . . . 0.0 110.301 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.734 HD21 ' HE ' ' A' ' 50' ' ' ARG . 4.2 mm? -124.62 135.43 53.09 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.163 -0.926 . . . . 0.0 109.421 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 1.1 ppp? -99.79 138.76 36.43 Favored 'General case' 0 C--N 1.319 -0.722 0 O-C-N 124.799 1.312 . . . . 0.0 111.159 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' ND2' ' N ' ' A' ' 54' ' ' ASN . 0.0 OUTLIER -123.89 146.1 48.66 Favored 'General case' 0 C--N 1.318 -0.781 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 -179.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.4 mt -107.04 115.41 30.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 109.456 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 80.3 m -118.14 139.3 51.46 Favored 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.432 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.439 ' O ' HD13 ' A' ' 72' ' ' ILE . . . -176.99 172.22 45.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.431 HG22 ' HA ' ' A' ' 71' ' ' PRO . 3.1 p -123.93 133.85 53.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 0.737 . . . . 0.0 110.165 -179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.404 ' HA ' ' HD3' ' A' ' 60' ' ' PRO . 38.8 pt -106.89 141.37 22.72 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 109.28 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.431 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 17.8 Cg_endo -74.78 98.56 1.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.374 1.723 . . . . 0.0 111.107 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.3 t -113.67 126.44 28.11 Favored Pre-proline 0 C--N 1.32 -0.714 0 O-C-N 124.313 1.008 . . . . 0.0 109.159 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.7 Cg_endo -74.74 147.75 35.58 Favored 'Trans proline' 0 C--N 1.358 1.07 0 O-C-N 124.437 1.757 . . . . 0.0 111.079 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -105.14 -55.33 2.34 Favored 'General case' 0 C--N 1.32 -0.674 0 O-C-N 124.769 1.293 . . . . 0.0 110.939 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -159.96 32.65 0.18 Allowed 'General case' 0 C--N 1.323 -0.578 0 O-C-N 124.415 1.072 . . . . 0.0 110.293 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 132.26 -22.61 4.19 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.424 1.077 . . . . 0.0 111.019 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.461 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.8 OUTLIER -107.59 158.08 17.53 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.388 0.699 . . . . 0.0 109.29 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 22.6 m -99.21 132.12 44.75 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.359 1.037 . . . . 0.0 110.694 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.431 ' O ' ' HA ' ' A' ' 60' ' ' PRO . 0.4 OUTLIER -115.34 169.53 9.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.611 1.194 . . . . 0.0 110.924 -179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -116.65 93.33 4.17 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 124.645 1.215 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.702 HG21 ' HD2' ' A' ' 135' ' ' PHE . 9.4 mm -82.41 114.44 51.45 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.384 1.052 . . . . 0.0 109.289 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.431 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.3 Cg_endo -74.94 128.5 11.59 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.491 1.785 . . . . 0.0 110.914 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.439 HD13 ' O ' ' A' ' 57' ' ' GLY . 0.2 OUTLIER -127.29 146.88 32.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.482 1.114 . . . . 0.0 109.241 -179.962 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . . . . . . . . . 34.1 t -125.01 143.78 50.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 108.564 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.5 mt -130.9 136.95 49.08 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.352 1.032 . . . . 0.0 109.29 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.452 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 51.0 m95 -111.31 139.44 46.72 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.625 ' O ' HD12 ' A' ' 52' ' ' LEU . 4.4 mm? -121.08 166.87 13.29 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.815 HD13 ' N ' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -140.34 176.51 8.71 Favored 'General case' 0 N--CA 1.448 -0.543 0 O-C-N 124.493 1.12 . . . . 0.0 109.473 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' O ' ' HB ' ' A' ' 79' ' ' THR . 0.7 OUTLIER -81.99 -32.21 30.74 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.815 1.322 . . . . 0.0 109.429 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.423 ' HB ' ' O ' ' A' ' 78' ' ' ASP . 0.0 OUTLIER 174.1 -39.47 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 110.399 179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.503 ' HA ' ' C ' ' A' ' 81' ' ' PRO . 0.9 OUTLIER -119.36 159.95 43.52 Favored Pre-proline 0 C--N 1.318 -0.782 0 O-C-N 124.433 1.083 . . . . 0.0 111.038 -179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 80' ' ' TYR . 19.6 Cg_endo -75.19 -52.31 0.16 OUTLIER 'Cis proline' 0 C--N 1.36 1.139 0 C-N-CA 120.933 -2.528 . . . . 0.0 110.885 0.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.421 ' C ' ' HD2' ' A' ' 84' ' ' PRO . 2.9 m-85 -80.11 115.64 19.79 Favored 'General case' 0 C--N 1.323 -0.579 0 O-C-N 124.496 1.122 . . . . 0.0 110.932 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.628 ' N ' ' CD ' ' A' ' 84' ' ' PRO . 1.5 m120 -52.83 -45.09 97.49 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.325 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.3 Cg_endo -74.97 155.97 43.09 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.489 1.784 . . . . 0.0 111.028 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.557 ' HB3' HD13 ' A' ' 76' ' ' LEU . 18.1 Cg_endo -74.99 158.38 42.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.422 1.748 . . . . 0.0 110.97 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.648 HG23 ' HE3' ' A' ' 108' ' ' LYS . 1.3 mt -96.21 125.01 49.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.488 ' HB3' HD11 ' A' ' 109' ' ' ILE . 94.3 m -66.28 148.72 51.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 108.314 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.494 ' N ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER -160.94 159.37 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.528 1.142 . . . . 0.0 111.057 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.962 HG22 ' O ' ' A' ' 107' ' ' GLY . 34.1 m -123.63 154.86 30.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 O-C-N 124.561 1.163 . . . . 0.0 109.386 179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.424 ' N ' ' HD3' ' A' ' 91' ' ' PRO . 0.1 OUTLIER -134.72 64.08 61.61 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.34 1.025 . . . . 0.0 109.383 179.795 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.45 ' HG3' HD12 ' A' ' 97' ' ' ILE . 18.6 Cg_endo -74.98 -176.2 2.75 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.596 1.84 . . . . 0.0 110.975 -179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 14.1 p -105.9 -175.2 2.73 Favored 'General case' 0 C--N 1.321 -0.641 0 O-C-N 124.801 1.313 . . . . 0.0 110.469 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -89.14 -22.25 22.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 O-C-N 124.502 1.126 . . . . 0.0 109.954 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.41 -7.48 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 110.042 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . 0.42 ' O ' ' O ' ' A' ' 142' ' ' PHE . 58.6 ttm -92.52 -32.95 14.67 Favored 'General case' 0 N--CA 1.448 -0.548 0 O-C-N 124.778 1.299 . . . . 0.0 111.139 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.479 HG22 ' H ' ' A' ' 97' ' ' ILE . 73.1 m 66.86 172.9 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 110.237 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.591 HG23 ' O ' ' A' ' 97' ' ' ILE . 0.5 OUTLIER -138.21 105.04 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.709 1.256 . . . . 0.0 109.353 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . 0.56 ' HG3' ' CD1' ' A' ' 142' ' ' PHE . 2.2 mmtt -72.72 86.49 1.23 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.477 1.111 . . . . 0.0 109.149 -179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 104' ' ' ASP . 6.0 p -44.11 138.95 2.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 110.447 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -153.91 -150.21 5.41 Favored Glycine 0 CA--C 1.534 1.246 0 O-C-N 125.013 1.446 . . . . 0.0 111.118 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -70.33 0.18 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.443 0.731 . . . . 0.0 109.348 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.669 ' CE1' HG23 ' A' ' 103' ' ' VAL . 9.9 p80 -76.75 -51.28 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.634 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.669 HG23 ' CE1' ' A' ' 102' ' ' HIS . 87.7 t -55.08 90.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.345 1.028 . . . . 0.0 109.207 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 102' ' ' HIS . 2.7 t0 -65.37 -156.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.412 1.07 . . . . 0.0 109.468 179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -96.32 -15.88 21.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.261 -0.881 . . . . 0.0 109.217 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 -110.67 5.55 21.02 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.359 1.037 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.962 ' O ' HG22 ' A' ' 89' ' ' VAL . . . 71.42 41.1 59.14 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.632 1.208 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.648 ' HE3' HG23 ' A' ' 86' ' ' ILE . 1.4 tttp -104.77 57.95 0.7 Allowed 'General case' 0 N--CA 1.451 -0.391 0 O-C-N 124.425 0.721 . . . . 0.0 109.158 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.626 ' N ' HD13 ' A' ' 109' ' ' ILE . 0.1 OUTLIER -39.61 106.95 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.448 -0.574 0 O-C-N 124.297 0.998 . . . . 0.0 109.074 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.565 ' CD2' ' O ' ' A' ' 110' ' ' TYR . 41.9 p90 -113.55 59.43 0.66 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 111.038 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.528 ' H ' HD12 ' A' ' 111' ' ' LEU . 3.9 mp -47.65 153.41 1.07 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -13.64 21.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.486 1.782 . . . . 0.0 111.033 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.36 -46.91 65.85 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.46 1.1 . . . . 0.0 110.978 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.9 pp -68.19 -31.96 71.87 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -70.69 -37.89 73.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.613 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -99.3 29.08 4.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 110.287 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.703 ' CD1' ' CB ' ' A' ' 122' ' ' SER . 7.3 t90 -80.77 117.52 21.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 108.057 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.467 ' O ' ' C ' ' A' ' 119' ' ' HIS . 0.4 OUTLIER -125.43 70.84 1.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.224 -179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.528 ' HA ' ' C ' ' A' ' 120' ' ' PRO . 25.1 p-80 -35.07 152.71 0.06 OUTLIER Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.445 1.091 . . . . 0.0 109.652 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 119' ' ' HIS . 18.6 Cg_endo -74.91 2.77 14.38 Favored 'Cis proline' 0 C--N 1.358 1.074 0 C-N-CA 121.066 -2.472 . . . . 0.0 111.042 -0.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.5 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.0 mp0 -30.06 -69.43 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.585 1.178 . . . . 0.0 110.326 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.703 ' CB ' ' CD1' ' A' ' 117' ' ' TRP . 0.2 OUTLIER -93.11 -177.14 4.38 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 0.0 109.997 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 42.7 m-20 -172.63 164.17 5.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.75 HD23 ' HG2' ' A' ' 24' ' ' GLU . 1.7 mm? -55.34 -50.7 68.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.402 ' N ' HD12 ' A' ' 125' ' ' LEU . 7.4 mp -55.18 -54.54 42.03 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -58.36 -37.69 88.34 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.474 1.109 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.34 -69.2 0.19 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 0.811 . . . . 0.0 109.327 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -51.15 -22.64 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -61.16 2.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.387 1.054 . . . . 0.0 110.321 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.503 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -44.93 -49.87 2.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.576 1.173 . . . . 0.0 109.348 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.503 ' N ' ' CG1' ' A' ' 130' ' ' VAL . 61.8 mtt -51.04 -57.45 8.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.706 HD11 ' OH ' ' A' ' 32' ' ' TYR . 0.2 OUTLIER -45.79 -28.21 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.128 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 86.8 t -90.23 -62.64 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 37.6 t -45.61 -40.62 3.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.463 1.102 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.702 ' HD2' HG21 ' A' ' 70' ' ' ILE . 6.2 m-85 -84.58 -33.31 23.43 Favored 'General case' 0 N--CA 1.446 -0.638 0 O-C-N 124.519 1.137 . . . . 0.0 111.12 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -64.62 -21.05 66.65 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.434 1.083 . . . . 0.0 110.958 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -82.94 -41.72 18.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 0.735 . . . . 0.0 109.346 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -170.86 157.16 5.11 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.702 1.252 . . . . 0.0 110.324 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . 0.501 ' C ' ' H ' ' A' ' 141' ' ' VAL . 18.5 Cg_endo -74.83 113.98 3.92 Favored 'Trans proline' 0 C--N 1.359 1.083 0 O-C-N 124.508 1.794 . . . . 0.0 110.931 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -74.73 35.69 0.41 Allowed 'Trans proline' 0 C--N 1.363 1.312 0 O-C-N 124.553 1.817 . . . . 0.0 111.258 179.603 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 139' ' ' PRO . 0.0 OUTLIER -132.85 -56.83 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.761 0 O-C-N 124.991 1.432 . . . . 0.0 109.337 179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.56 ' CD1' ' HG3' ' A' ' 98' ' ' LYS . 0.2 OUTLIER 55.34 162.65 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.561 0 O-C-N 124.223 0.952 . . . . 0.0 110.854 179.825 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.492 ' N ' ' CG ' ' A' ' 142' ' ' PHE . 0.1 OUTLIER -178.11 36.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.037 -0.983 . . . . 0.0 110.104 -179.881 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.43 117.09 67.61 Favored Pre-proline 0 C--N 1.327 -0.386 0 O-C-N 124.632 1.207 . . . . 0.0 110.401 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.353 0.787 0 O-C-N 124.501 1.79 . . . . 0.0 110.934 -179.92 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.401 ' C ' HG23 ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.455 -0.213 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.52 ' O ' ' CB ' ' A' ' 4' ' ' SER . 26.4 t -150.65 -46.99 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.445 -0.692 0 CA-C-N 115.074 -0.966 . . . . 0.0 109.374 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 3' ' ' VAL . 0.4 OUTLIER 157.38 -169.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.823 -179.737 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.38 -22.69 0.46 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 114.886 -1.052 . . . . 0.0 110.261 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.14 39.3 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 10' ' ' LYS . 3.2 tp60 -75.41 -52.26 11.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.859 1.349 . . . . 0.0 110.219 -179.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.682 ' O ' HG22 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -43.15 -56.55 3.36 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.207 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 12' ' ' VAL . 0.0 OUTLIER -60.03 -35.39 75.0 Favored 'General case' 0 C--N 1.32 -0.711 0 O-C-N 124.574 1.171 . . . . 0.0 109.177 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -65.2 -44.73 87.41 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.565 1.166 . . . . 0.0 109.273 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.457 ' HG3' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -64.47 -44.31 91.44 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 124.258 0.974 . . . . 0.0 111.167 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.682 HG22 ' O ' ' A' ' 8' ' ' LEU . 27.4 m -83.32 1.02 4.22 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.432 0 O-C-N 124.626 1.204 . . . . 0.0 109.73 179.581 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.8 t -62.74 -21.58 65.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 114.899 -1.046 . . . . 0.0 109.88 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -101.08 -28.11 12.89 Favored 'General case' 0 C--N 1.321 -0.674 0 O-C-N 124.324 1.015 . . . . 0.0 109.558 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.576 ' CE1' ' OD1' ' A' ' 78' ' ' ASP . 2.5 m-85 -53.34 117.41 3.04 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.56 1.162 . . . . 0.0 111.099 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -48.93 -68.38 0.18 Allowed 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.517 1.135 . . . . 0.0 109.55 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.583 ' CE1' ' OG1' ' A' ' 21' ' ' THR . 0.0 OUTLIER -81.79 49.54 1.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.78 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.52 ' HG2' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -65.89 -60.26 3.04 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.133 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.41 ' C ' ' O ' ' A' ' 18' ' ' ARG . 31.4 t70 -38.85 -39.02 0.48 Allowed 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.555 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -76.28 -50.22 14.95 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.597 HG23 ' CD2' ' A' ' 76' ' ' LEU . 41.5 m -55.46 -55.03 36.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.358 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.541 ' CG2' HG21 ' A' ' 12' ' ' VAL . 7.0 t -53.0 -42.48 44.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 O-C-N 124.641 1.213 . . . . 0.0 109.61 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 -67.51 -47.92 68.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.423 1.077 . . . . 0.0 110.382 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.439 ' OE1' HD13 ' A' ' 124' ' ' LEU . 11.7 mt-10 -60.48 -46.09 91.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.427 1.08 . . . . 0.0 110.331 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 30.6 m -61.43 -32.2 72.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.128 . . . . 0.0 110.425 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' O ' ' CB ' ' A' ' 30' ' ' THR . 0.5 OUTLIER -71.15 -41.98 75.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 O-C-N 124.648 1.217 . . . . 0.0 109.408 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.637 ' ND2' HD21 ' A' ' 125' ' ' LEU . 16.1 t-20 -68.17 -51.94 40.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.657 HG21 HD23 ' A' ' 124' ' ' LEU . 12.0 t -44.54 -59.62 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 O-C-N 124.624 1.202 . . . . 0.0 109.354 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.2 pt -62.86 -56.91 14.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 O-C-N 124.587 1.18 . . . . 0.0 109.353 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.473 ' CB ' ' O ' ' A' ' 26' ' ' VAL . 14.0 m -43.11 -45.64 5.47 Favored 'General case' 0 N--CA 1.449 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 110.494 179.689 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.09 -46.09 71.95 Favored 'General case' 0 C--N 1.322 -0.622 0 O-C-N 124.756 1.285 . . . . 0.0 109.338 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -130.96 115.73 16.9 Favored 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.653 1.221 . . . . 0.0 111.168 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.3 mmtt -84.1 54.62 3.0 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 114.905 -1.043 . . . . 0.0 108.908 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -130.14 -45.81 1.12 Allowed 'General case' 0 C--N 1.318 -0.801 0 O-C-N 124.564 1.165 . . . . 0.0 109.193 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.15 110.08 1.73 Allowed 'General case' 0 C--N 1.32 -0.716 0 O-C-N 124.474 1.109 . . . . 0.0 109.368 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.62 116.92 66.33 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-N 114.812 -1.085 . . . . 0.0 109.143 -179.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.477 ' HA ' HD23 ' A' ' 55' ' ' LEU . 18.4 Cg_endo -74.85 134.11 17.66 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.509 1.794 . . . . 0.0 111.008 179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' N ' ' A' ' 39' ' ' LEU . 22.6 t -132.36 169.12 22.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.587 179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.516 ' N ' HG12 ' A' ' 38' ' ' VAL . 0.5 OUTLIER -137.5 106.49 5.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 108.95 -179.841 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -121.75 135.79 54.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.832 1.332 . . . . 0.0 109.308 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 p -96.67 137.84 35.14 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.77 1.294 . . . . 0.0 109.956 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -134.15 147.54 50.82 Favored 'General case' 0 C--N 1.323 -0.58 0 O-C-N 124.245 0.965 . . . . 0.0 110.787 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 48' ' ' SER . 3.9 m -91.04 144.43 9.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.704 1.253 . . . . 0.0 109.074 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 46' ' ' ASP . 10.7 m-85 -95.86 144.22 26.39 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.812 -1.085 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -55.65 89.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.791 1.307 . . . . 0.0 109.313 -179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 44' ' ' PHE . 0.4 OUTLIER 172.21 -49.58 0.01 OUTLIER 'General case' 0 C--O 1.242 0.664 0 O-C-N 124.25 0.969 . . . . 0.0 109.047 -179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.29 46.71 0.1 OUTLIER Glycine 0 CA--C 1.53 0.992 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 43' ' ' VAL . 39.4 p -139.12 172.62 12.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 O-C-N 124.227 0.604 . . . . 0.0 110.207 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.5 p -132.84 153.45 51.29 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.412 1.07 . . . . 0.0 110.265 179.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -152.22 159.92 43.47 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.658 1.224 . . . . 0.0 110.219 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.944 ' C ' HD22 ' A' ' 52' ' ' LEU . 0.4 OUTLIER -113.25 122.87 48.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.297 0.998 . . . . 0.0 110.254 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.944 HD22 ' C ' ' A' ' 51' ' ' GLU . 2.6 mm? -131.29 148.64 52.7 Favored 'General case' 0 N--CA 1.448 -0.558 0 O-C-N 124.837 1.335 . . . . 0.0 109.337 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 3.5 ttp -92.94 137.16 32.61 Favored 'General case' 0 C--N 1.317 -0.824 0 O-C-N 124.722 1.264 . . . . 0.0 110.963 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.413 ' OD1' ' N ' ' A' ' 54' ' ' ASN . 2.2 p-10 -122.87 118.48 28.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 109.357 179.713 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.477 HD23 ' HA ' ' A' ' 37' ' ' PRO . 17.8 mt -88.88 103.19 15.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.182 . . . . 0.0 109.275 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 10.0 m -109.74 111.18 22.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 115.102 -0.953 . . . . 0.0 110.505 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.62 -175.33 21.8 Favored Glycine 0 CA--C 1.532 1.15 0 O-C-N 124.47 1.107 . . . . 0.0 110.938 -179.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.469 HG22 ' HA ' ' A' ' 71' ' ' PRO . 7.5 p -137.4 121.94 18.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.665 0.862 . . . . 0.0 110.277 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.725 HG23 ' HD2' ' A' ' 60' ' ' PRO . 49.6 mt -88.82 142.37 30.52 Favored Pre-proline 0 N--CA 1.449 -0.479 0 O-C-N 124.637 1.211 . . . . 0.0 109.519 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PRO . . . . . 0.725 ' HD2' HG23 ' A' ' 59' ' ' ILE . 18.7 Cg_endo -74.44 118.44 5.35 Favored 'Trans proline' 0 C--N 1.359 1.092 0 O-C-N 124.508 1.794 . . . . 0.0 111.293 179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.458 ' O ' ' CB ' ' A' ' 68' ' ' TYR . 25.5 t -144.86 101.92 4.54 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.525 1.141 . . . . 0.0 109.154 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' PRO . . . . . 0.436 ' HA ' ' O ' ' A' ' 66' ' ' ASN . 18.5 Cg_endo -75.05 147.7 34.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 110.909 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -95.39 -38.91 10.28 Favored 'General case' 0 C--N 1.321 -0.64 0 O-C-N 124.592 1.183 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -144.18 -76.65 0.23 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.528 1.143 . . . . 0.0 110.341 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -124.0 4.8 9.04 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.645 1.215 . . . . 0.0 110.896 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' PRO . 0.4 OUTLIER -127.16 146.41 50.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.431 0.724 . . . . 0.0 109.422 179.839 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 91.0 m -89.13 129.89 35.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.693 1.246 . . . . 0.0 110.282 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.458 ' CB ' ' O ' ' A' ' 61' ' ' VAL . 1.3 t80 -100.49 162.75 12.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 1.137 . . . . 0.0 110.667 -179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -115.04 86.33 2.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.433 1.083 . . . . 0.0 109.326 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.712 HG21 ' HD2' ' A' ' 135' ' ' PHE . 18.1 mm -73.11 114.05 27.52 Favored Pre-proline 0 C--N 1.321 -0.634 0 O-C-N 124.586 1.179 . . . . 0.0 109.289 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.469 ' HA ' HG22 ' A' ' 58' ' ' THR . 18.0 Cg_endo -75.11 136.86 20.74 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.42 1.747 . . . . 0.0 110.861 -179.703 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -149.07 148.07 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.112 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' CYS . . . . . 0.547 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 42.2 t -128.14 148.61 50.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 108.453 179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' A' ' 85' ' ' PRO . 0.4 OUTLIER -134.79 127.15 30.31 Favored 'General case' 0 N--CA 1.446 -0.657 0 O-C-N 124.166 0.916 . . . . 0.0 109.392 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TRP . . . . . 0.5 ' O ' ' CB ' ' A' ' 85' ' ' PRO . 67.0 m95 -100.19 144.66 28.95 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.679 ' O ' HD12 ' A' ' 52' ' ' LEU . 1.4 mp -119.77 163.32 17.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.981 HD21 ' O ' ' A' ' 83' ' ' ASN . 0.0 OUTLIER -137.9 176.95 8.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.083 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.576 ' OD1' ' CE1' ' A' ' 15' ' ' TYR . 1.0 OUTLIER -94.84 -28.23 15.34 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 114.778 -1.101 . . . . 0.0 109.449 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -177.85 -37.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.61 1.194 . . . . 0.0 110.345 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.524 ' CB ' ' HA ' ' A' ' 81' ' ' PRO . 1.4 m-85 -97.57 168.14 10.63 Favored Pre-proline 0 C--N 1.327 -0.404 0 O-C-N 124.486 1.116 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PRO . . . . . 0.524 ' HA ' ' CB ' ' A' ' 80' ' ' TYR . 18.3 Cg_endo -74.88 -35.34 2.95 Favored 'Cis proline' 0 C--N 1.361 1.195 0 C-N-CA 121.039 -2.484 . . . . 0.0 111.107 -0.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' TYR . . . . . 0.422 ' O ' ' CB ' ' A' ' 83' ' ' ASN . 38.7 m-85 -97.22 -65.3 0.97 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 114.827 -1.078 . . . . 0.0 111.069 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASN . . . . . 0.981 ' O ' HD21 ' A' ' 77' ' ' LEU . 1.4 m-20 162.19 -50.89 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.588 1.18 . . . . 0.0 109.1 179.633 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.532 ' CD ' ' N ' ' A' ' 83' ' ' ASN . 18.2 Cg_endo -75.07 151.35 39.1 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.535 1.808 . . . . 0.0 110.962 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PRO . . . . . 0.5 ' CB ' ' O ' ' A' ' 75' ' ' TRP . 18.4 Cg_endo -74.98 170.78 19.65 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.484 1.781 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 1.3 mp -104.17 156.66 5.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' CYS . . . . . 0.576 ' HB3' ' HE1' ' A' ' 131' ' ' MET . 60.9 m -128.76 134.77 48.51 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.168 . . . . 0.0 108.285 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.547 ' CZ ' ' HB3' ' A' ' 73' ' ' CYS . 2.5 p90 -164.28 147.27 9.22 Favored 'General case' 0 C--N 1.317 -0.83 0 O-C-N 124.637 1.211 . . . . 0.0 111.047 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 97' ' ' ILE . 7.6 p -73.55 159.48 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.29 0.994 . . . . 0.0 109.238 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.95 97.5 50.76 Favored Pre-proline 0 N--CA 1.447 -0.603 0 O-C-N 124.308 1.005 . . . . 0.0 109.249 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -74.57 149.27 38.6 Favored 'Trans proline' 0 C--N 1.357 0.978 0 O-C-N 124.798 1.946 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 12.3 p -115.96 -142.25 0.38 Allowed 'General case' 0 N--CA 1.449 -0.502 0 O-C-N 124.318 1.011 . . . . 0.0 110.34 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.5 m -100.32 -45.23 5.66 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.898 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.84 -38.15 58.31 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.605 1.19 . . . . 0.0 109.741 -179.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -71.68 -176.98 1.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 O-C-N 124.619 1.2 . . . . 0.0 110.706 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.976 HG21 ' HB2' ' A' ' 143' ' ' SER . 10.9 t -147.42 -154.4 0.55 Allowed 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 124.603 1.189 . . . . 0.0 110.161 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ILE . . . . . 0.614 HD11 ' CG1' ' A' ' 89' ' ' VAL . 0.0 OUTLIER -165.53 117.27 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.716 1.26 . . . . 0.0 109.208 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.26 89.4 7.3 Favored 'General case' 0 C--N 1.322 -0.595 0 O-C-N 124.532 1.145 . . . . 0.0 109.365 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 36.4 p -44.42 135.62 4.57 Favored 'General case' 0 N--CA 1.448 -0.551 0 O-C-N 124.433 1.083 . . . . 0.0 110.363 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -155.91 -137.81 2.43 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.639 1.212 . . . . 0.0 111.108 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -88.34 -71.1 0.6 Allowed 'General case' 0 C--N 1.321 -0.67 0 O-C-N 124.552 0.795 . . . . 0.0 109.307 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.68 ' CE1' HG23 ' A' ' 103' ' ' VAL . 18.9 p-80 -74.46 -20.12 60.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.605 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.68 HG23 ' CE1' ' A' ' 102' ' ' HIS . 40.7 t -98.32 70.68 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 O-C-N 124.658 1.224 . . . . 0.0 109.451 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -53.1 -177.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 O-C-N 124.652 1.22 . . . . 0.0 109.324 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -70.46 -18.92 62.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.723 1.264 . . . . 0.0 109.301 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -104.59 17.19 24.6 Favored 'General case' 0 C--N 1.327 -0.381 0 O-C-N 124.582 1.176 . . . . 0.0 109.282 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLY . . . . . 0.482 ' O ' HG12 ' A' ' 89' ' ' VAL . . . 56.46 19.57 26.81 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 124.523 1.139 . . . . 0.0 111.012 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -75.65 125.7 29.56 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 109' ' ' ILE . 27.1 mm -60.98 102.21 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 O-C-N 124.636 1.21 . . . . 0.0 109.342 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -109.93 34.19 3.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.6 mt -46.36 151.53 0.97 Allowed Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -42.76 0.47 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.497 1.788 . . . . 0.0 110.977 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TYR . . . . . 0.504 ' O ' ' CB ' ' A' ' 117' ' ' TRP . 0.1 OUTLIER -61.09 -43.12 99.37 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.55 HD23 ' N ' ' A' ' 115' ' ' HIS . 0.0 OUTLIER -51.38 -45.03 62.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.55 ' N ' HD23 ' A' ' 114' ' ' LEU . 48.7 t60 -58.09 -54.88 42.0 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.564 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -89.99 33.02 0.87 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.252 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' TRP . . . . . 0.795 ' HE1' ' N ' ' A' ' 122' ' ' SER . 6.0 t90 -131.1 119.44 21.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 108.046 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.36 164.3 25.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' HIS . . . . . 0.726 ' CB ' ' HA ' ' A' ' 120' ' ' PRO . 0.0 OUTLIER -61.46 171.13 1.4 Allowed Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 109.544 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' PRO . . . . . 0.726 ' HA ' ' CB ' ' A' ' 119' ' ' HIS . 18.2 Cg_endo -75.06 -16.56 21.15 Favored 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.988 -2.505 . . . . 0.0 111.028 0.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.413 ' C ' ' O ' ' A' ' 120' ' ' PRO . 2.4 mp0 -37.55 -52.64 1.19 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 1.113 . . . . 0.0 110.321 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.795 ' N ' ' HE1' ' A' ' 117' ' ' TRP . 0.9 OUTLIER -59.74 139.19 57.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 1.082 . . . . 0.0 110.037 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . 0.4 ' CG ' ' O ' ' A' ' 122' ' ' SER . 51.1 m-20 -168.38 156.96 8.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.657 HD23 HG21 ' A' ' 28' ' ' VAL . 6.0 mp -55.87 -62.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.637 HD21 ' ND2' ' A' ' 27' ' ' ASN . 3.4 mp -50.29 -55.59 14.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.311 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -55.14 -42.73 82.68 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LEU . . . . . 0.456 ' C ' ' N ' ' A' ' 129' ' ' GLN . 1.7 mt -62.23 -66.11 0.59 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 0.775 . . . . 0.0 109.372 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.409 ' C ' ' O ' ' A' ' 127' ' ' LEU . 44.6 mm -39.73 -29.6 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.456 ' N ' ' C ' ' A' ' 127' ' ' LEU . 8.5 tt0 -61.49 -59.24 5.54 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 110.258 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 131' ' ' MET . 0.5 OUTLIER -43.52 -50.36 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' MET . . . . . 0.576 ' HE1' ' HB3' ' A' ' 87' ' ' CYS . 18.9 mtt -58.66 -53.07 62.53 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.127 . . . . 0.0 111.06 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 11.7 mt -45.25 -31.2 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 15.8 t -92.36 -63.17 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.555 1.16 . . . . 0.0 109.291 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' VAL . . . . . . . . . . . . . 2.6 t -41.86 -44.23 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' PHE . . . . . 0.712 ' HD2' HG21 ' A' ' 70' ' ' ILE . 9.6 m-85 -86.81 -31.53 20.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . -60.5 -29.11 68.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.388 1.055 . . . . 0.0 111.044 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -79.56 -35.05 40.38 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.514 0.773 . . . . 0.0 109.363 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.82 157.55 1.17 Allowed Pre-proline 0 C--N 1.326 -0.448 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.252 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.38 119.47 5.55 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.415 1.745 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' PRO . . . . . 0.542 ' HG2' ' CE2' ' A' ' 135' ' ' PHE . 18.9 Cg_endo -74.61 0.8 8.24 Favored 'Trans proline' 0 C--N 1.364 1.349 0 O-C-N 124.581 1.832 . . . . 0.0 111.011 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' VAL . . . . . 0.505 HG22 HG21 ' A' ' 89' ' ' VAL . 93.7 t -87.94 -101.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . 0.612 ' O ' HG23 ' A' ' 96' ' ' THR . 2.4 t80 45.36 -172.98 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.276 0.985 . . . . 0.0 111.045 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.976 ' HB2' HG21 ' A' ' 96' ' ' THR . 0.1 OUTLIER -136.84 38.14 2.6 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.718 1.262 . . . . 0.0 109.965 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.22 147.17 8.7 Favored Pre-proline 0 C--N 1.327 -0.372 0 O-C-N 124.447 1.092 . . . . 0.0 110.295 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.623 1.854 . . . . 0.0 111.148 179.98 . . . . . . . . 0 0 . 1 stop_ save_