data_2los_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 2los _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 ' 3' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' THR . 61.8 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' ASP . 43.5 m -38.82 -65.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 15.6 p -153.62 111.58 3.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 66.8 m -38.13 -55.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -138.11 -53.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 5' ' ' SER . 42.6 t -40.59 105.29 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.16 16.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.8 mt -57.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t-80 -38.61 -63.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -48.98 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.3 t80 -46.43 -45.63 18.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -36.04 90.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.2 m-85 -69.31 -35.15 75.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.764 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.16 -41.97 52.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -53.45 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.49 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -67.0 -30.11 70.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -44.42 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.3 -55.07 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -52.68 58.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.502 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 27.9 t -45.8 -71.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.42 -30.92 42.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.77 -77.93 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.8 mm -61.92 -56.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.505 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -49.99 -25.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.27 -79.34 0.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -45.13 -42.62 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 89.5 t -80.17 -31.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.505 ' CA ' ' O ' ' A' ' 27' ' ' ILE . 2.3 ttmm 87.46 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 164.36 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.49 -15.4 56.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -41.96 105.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -77.77 -48.75 2.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -56.66 -58.93 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -53.25 -49.75 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.03 63.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.55 71.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.43 -33.8 68.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -57.18 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 2.2 t80 -63.11 -19.15 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.62 -64.54 3.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -63.56 -43.24 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.2 mp -60.58 -32.38 71.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -67.64 -58.5 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.41 -63.26 5.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 9.8 mp -54.73 -61.3 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.38 -46.12 22.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -57.01 -39.67 75.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 2.6 p90 -149.7 79.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . 56.9 tp60 -172.74 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tp -176.36 100.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t 179.55 -47.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -112.95 106.3 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 73.0 m-20 62.18 126.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.426 ' C ' HG21 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -74.95 -32.3 5.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -67.69 -70.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' ARG . 3.6 m120 -38.62 -63.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 21.1 m -45.04 -49.16 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.401 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 17.2 t90 -52.74 -47.28 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.03 -35.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -76.3 -25.53 54.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -47.67 63.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.86 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.5 m -56.01 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -22.15 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.68 -51.22 60.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -80.01 -48.83 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.18 -56.11 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.27 -32.43 61.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.28 -46.1 21.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 4.3 tt -69.14 -69.5 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -61.94 -41.92 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' N ' HG21 ' A' ' 92' ' ' ILE . . . -60.49 -72.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.85 -52.52 9.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -54.03 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -35.48 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.9 -32.15 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -55.17 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.58 -43.18 75.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.6 t -58.84 -54.2 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.47 70.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -60.1 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.5 p -59.99 -23.02 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.02 -78.11 0.46 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.88 91.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.9 140.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.3 mtt -58.12 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -147.02 150.12 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.8 p -39.17 147.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -61.25 82.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 73.2 p -59.99 -45.13 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.96 -74.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -51.63 113.35 3.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 153.54 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.5 -57.25 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.5 t60 -39.47 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.412 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 5.4 m95 -45.11 -50.32 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -46.93 -47.3 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.45 89.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.5 m-85 -70.66 -35.59 72.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.16 -46.99 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -61.69 -51.21 69.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.29 80.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -60.28 -27.54 67.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -56.23 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -50.21 -58.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.01 82.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.6 m -50.22 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.061 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.64 -18.64 11.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.88 -75.28 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.58 -37.26 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.9 mm -66.69 -27.27 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -68.98 1.45 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -48.93 -43.7 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.87 -21.79 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 1.5 ttmt 80.7 -56.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 162.18 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.04 -10.56 60.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -45.19 120.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -80.94 -48.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.09 -53.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -44.5 -64.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.12 -46.85 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.54 43.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.12 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.08 88.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.424 1.077 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.55 -62.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.48 -25.04 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.3 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 71.3 p -65.16 -53.83 39.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -46.28 -32.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.99 -71.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -61.42 5.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -55.9 -46.48 78.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.64 -52.91 18.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.25 61.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -78.83 -58.05 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 174.77 150.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.6 m 157.62 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 118.63 8.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 89.5 m-20 60.73 112.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.18 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -43.07 -54.64 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 3.2 t -44.38 -49.09 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.33 -48.38 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.65 -34.61 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -28.22 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -49.72 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.75 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 m -45.42 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.91 -26.58 68.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.29 19.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -38.45 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -35.38 62.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.21 -47.57 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -32.17 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.59 -38.57 72.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.65 -55.28 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.66 -69.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.13 -49.88 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.48 -57.33 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.76 -31.77 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.56 -35.04 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -45.76 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -44.82 89.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.65 -51.37 72.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 -25.91 65.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -76.51 -43.35 39.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.62 -35.63 68.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.35 -68.79 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.77 102.04 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 177.43 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -121.81 140.8 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' ASP . 89.3 m 56.71 160.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -49.31 125.02 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.9 m -60.34 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' VAL . 28.1 t 69.85 -60.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' VAL . 24.7 t -38.82 107.81 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.418 1.746 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.8 mm? -63.32 -67.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LEU . 47.7 m80 -38.46 -63.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -43.94 -50.6 8.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.943 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -46.02 -48.95 16.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.96 92.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.0 m-85 -71.13 -34.54 71.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.8 -46.15 61.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -63.35 -52.97 59.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.46 72.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -76.63 -24.28 53.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 22' ' ' ALA . 12.3 p -64.22 -46.64 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -63.29 -45.28 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.525 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 14.6 m -58.24 -65.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -32.37 46.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -66.65 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.51 -61.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 23' ' ' SER . 1.1 pp -52.58 -21.06 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.41 -82.57 0.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -49.89 -34.05 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.6 t -83.84 -31.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 82.27 -65.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.93 155.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.54 4.03 20.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -65.87 127.93 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.625 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.0 t -79.88 -44.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.6 Cg_endo -74.94 -47.37 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 5.4 t -50.82 -61.22 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.58 -49.41 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.07 -33.4 51.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.29 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -35.31 91.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -58.69 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.12 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.5 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.3 m-85 -60.3 -20.9 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.63 -67.59 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.8 m -64.57 -48.24 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -51.03 -42.31 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -61.48 -60.88 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.12 -73.17 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 11.1 mp -44.18 -59.42 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.466 ' HA2' ' CB ' ' A' ' 56' ' ' SER . . . -50.33 -48.09 41.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -56.02 -34.22 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.721 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-85 -155.22 83.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -179.07 -72.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.48 70.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -179.68 36.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.05 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -179.81 89.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLN . 1.7 m-20 61.78 130.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.16 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -41.43 -52.7 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 t -44.75 -52.1 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -52.52 -46.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 108.032 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.96 -36.9 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -77.19 -23.53 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -47.61 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -71.93 -40.34 68.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.2 m -55.04 -68.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -64.58 -28.96 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.51 -50.62 52.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 m -76.87 -45.84 26.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.31 -48.66 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.68 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.73 -47.04 30.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 4.9 tp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -61.22 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.67 -65.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.86 -65.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.57 -51.15 10.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.04 -54.72 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -32.8 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -32.13 68.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -68.97 -49.72 55.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -46.13 89.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -57.96 -50.35 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.96 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -48.5 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.69 -53.69 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.55 -76.46 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 106' ' ' SER . 73.1 t -45.32 150.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.408 ' N ' HG13 ' A' ' 105' ' ' VAL . 36.9 m -85.29 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.1 tpt 179.43 150.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.13 167.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 m 59.14 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -46.62 162.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -79.53 54.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t 64.64 56.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.9 m -154.51 132.77 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.6 mp -50.5 -59.21 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 13.5 m170 -39.27 -59.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 8.4 m95 -45.77 -51.52 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 5.2 t80 -47.86 -45.32 30.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.28 -34.47 89.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -74.96 -31.79 61.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.98 57.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.58 -43.43 72.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.1 78.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -75.18 -22.48 58.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.78 -53.7 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 22' ' ' ALA . 27.8 m -63.5 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.416 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -63.66 -56.09 18.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 27.6 m -47.73 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.424 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -57.43 -26.41 56.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.72 -68.18 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -69.34 -53.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.543 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.7 mt -54.31 -23.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -80.06 0.79 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -39.25 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.4 t -84.1 -30.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 89.82 -53.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.54 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 -7.35 59.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 51.0 m -42.53 116.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.4 t -79.15 -46.63 1.66 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' SER . 1.7 t -51.82 -60.99 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -47.17 70.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -29.92 62.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.88 -34.05 65.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -59.24 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.42 -59.66 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.3 t80 -66.6 -24.14 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.59 -67.15 2.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -66.91 -48.35 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 4.5 tp -49.71 -38.69 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -71.32 -76.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.45 -63.06 2.57 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -54.62 -61.15 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -42.13 -73.13 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.04 -32.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' SER . 1.9 t80 -106.58 41.06 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' GLY . 6.2 tp60 -173.43 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.7 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.0 37.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.26 83.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.485 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 0.7 OUTLIER 67.72 129.36 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.57 -55.26 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.5 t -45.29 -48.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.41 -47.12 69.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.24 -34.39 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -25.69 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -49.03 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.78 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -52.8 -67.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.473 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.63 -53.92 26.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -74.26 -49.82 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -42.38 -59.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.49 90.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.5 -30.86 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.251 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -73.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 93' ' ' ALA . 17.8 pt -64.11 -38.72 83.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 92' ' ' ILE . . . -58.32 -75.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.9 -47.5 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.77 -57.97 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -31.53 63.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -34.69 77.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.95 -51.5 25.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.62 -46.48 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 85.7 t -61.72 -51.41 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.26 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -52.22 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.1 -44.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.58 -75.42 0.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.33 160.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -43.51 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.6 174.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.97 151.77 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -42.61 152.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.9 t -59.77 -32.31 70.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t 66.92 -71.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.451 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 15.6 m -95.88 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER 41.45 91.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.26 3.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -46.48 -57.45 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LEU . 28.0 t60 -38.67 -65.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CD2' HG12 ' A' ' 8' ' ' VAL . 2.2 t90 -46.46 -47.53 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.46 -46.35 37.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.64 71.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -73.97 -33.54 63.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 0.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -74.2 -48.4 15.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -49.67 73.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.99 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -51.68 -32.85 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 5.3 tt -68.92 -50.57 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 t -50.52 -58.29 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.77 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.5 m -49.12 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.98 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.41 -31.14 3.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -77.44 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.72 -52.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.542 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 14.7 mm -52.81 -24.14 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.22 -78.11 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.93 -40.09 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 45.6 t -83.56 -28.1 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 1.4 tttp 88.75 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.48 44.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.18 44.89 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.512 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 4.6 t -90.07 -138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.7 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.96 -47.51 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -60.4 -54.41 45.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -51.21 63.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.73 -29.56 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -31.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.93 -34.87 58.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -59.58 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -57.83 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 26.9 t80 -63.99 -22.33 66.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.71 -62.46 5.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 58.1 m -62.76 -45.01 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.419 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -60.97 -28.23 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -74.72 -76.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -49.6 -50.21 31.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 46' ' ' SER . 6.5 tp -64.23 -61.51 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -39.85 -56.79 2.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.9 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.573 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 45.0 m-85 -104.85 52.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.552 ' N ' ' CE2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -178.12 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -179.62 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.74 42.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.2 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 63.21 132.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -67.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -54.52 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 2.6 t -42.82 -50.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -49.76 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.4 -34.63 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -74.63 -33.35 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.79 -49.61 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.83 78.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 m -55.87 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.67 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.42 -58.43 8.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 m -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -45.39 -59.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.26 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.06 -39.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.319 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -66.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.59 -44.6 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.07 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.07 -49.38 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.9 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -27.85 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -38.52 74.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.29 -33.05 69.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -51.94 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 101' ' ' ALA . 33.8 m -69.29 -28.92 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.406 ' N ' HG22 ' A' ' 100' ' ' VAL . . . -69.88 -45.0 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.94 -30.55 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.31 -40.94 91.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -164.96 133.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.93 101.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -40.76 -64.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . 8.3 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . 9.0 t -42.54 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' THR . 51.5 p -37.92 -40.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 60.65 145.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.6 t 64.23 -81.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 13.4 m -67.3 133.81 93.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 18.3 Cg_endo -75.06 166.76 28.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.79 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 5.2 p-80 -40.58 -53.85 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.46 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t-105 -47.29 -53.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -49.1 -41.08 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.45 91.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -68.5 -35.99 78.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.45 -40.13 60.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.42 1.075 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.74 -44.53 89.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.05 79.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.1 -52.62 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.79 -58.53 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.32 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -49.99 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -50.43 -26.78 10.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -72.78 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.508 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 9.0 mt -71.43 -50.32 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.508 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.2 mm -53.29 -27.33 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.42 -72.86 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.15 -43.7 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 26' ' ' ILE . 2.9 p -83.52 -27.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.92 -63.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 161.69 151.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.52 5.28 8.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.501 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 m -64.8 129.33 39.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -80.28 -43.28 1.39 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.93 -42.37 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 6.7 t -56.83 -57.13 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -54.12 -50.74 66.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.79 57.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.1 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.58 -32.96 79.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 25.0 m-85 -62.36 -18.53 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.16 -66.7 2.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -63.25 -44.2 95.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -56.59 -42.31 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -61.14 -58.58 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.18 -76.24 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CB ' HD12 ' A' ' 55' ' ' LEU . 6.5 mp -44.28 -59.41 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.9 -67.28 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.588 1.18 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -48.23 -23.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 4.7 m-85 -95.7 30.15 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 51.08 88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -145.81 -46.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.93 62.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.77 -73.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 47.8 m-20 -133.16 155.63 80.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -53.62 -66.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.24 -51.24 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 18.3 t -45.09 -49.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.08 -46.27 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 108.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.57 -32.54 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.0 t80 -79.58 -25.24 41.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.15 -49.99 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.15 69.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -72.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -66.69 -22.53 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.4 -52.46 47.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -80.98 -42.4 21.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.67 -58.02 5.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.11 -30.55 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.93 -43.84 17.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -73.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' ' 93' ' ' ALA . 2.7 pp -65.54 -50.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.473 ' N ' ' CD1' ' A' ' 92' ' ' ILE . . . -54.21 -67.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.18 -46.13 15.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.42 -61.2 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -56.45 -28.33 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.74 -35.41 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.82 -57.48 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.03 -52.03 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.72 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.82 -40.13 75.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.61 -51.56 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.9 t -50.93 -39.72 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.78 -81.58 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.06 155.97 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -72.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 51.9 48.16 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.29 -68.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.5 m -52.5 153.01 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -73.7 91.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -88.99 -55.77 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -44.94 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -126.58 114.8 22.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.9 11.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -47.1 -60.38 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LEU . 9.1 t-160 -36.17 -53.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.65 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -52.31 -56.66 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -52.81 -28.08 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.57 -36.97 47.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.15 -28.82 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.32 -46.21 13.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.57 -44.49 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.07 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.89 -25.16 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 2.3 tt -70.7 -49.9 42.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.411 ' N ' HD23 ' A' ' 20' ' ' LEU . 54.1 t -58.16 -57.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.59 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.0 m -53.08 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.39 -24.54 23.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -73.9 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.91 -49.37 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.8 mm -55.37 -25.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.53 -75.9 0.96 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.67 -41.12 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.0 t -83.91 -28.18 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 86.94 -64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 160.69 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.86 3.71 6.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.497 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.4 OUTLIER -60.43 132.41 53.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.647 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.63 -43.96 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 6.6 t -53.78 -58.07 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.93 -51.04 67.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.17 -31.72 53.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.68 -36.38 73.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.13 -32.68 76.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.99 -63.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 2.0 t80 -60.73 -22.97 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.06 -67.51 2.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 80.5 p -60.72 -51.98 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.464 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -49.17 -47.28 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -54.66 -65.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' ' CE1' ' A' ' 53' ' ' TYR . . . -61.62 -78.31 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 2.2 mp -39.05 -61.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.7 -48.11 29.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -57.02 -36.52 70.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.571 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 3.2 p90 -146.99 79.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 1.1 tm0? -176.69 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER 164.11 73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 52.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -171.27 -46.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 3.5 m-20 -167.62 148.28 4.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -83.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -61.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 27.7 m-80 -40.49 -60.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.3 t -44.74 -47.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -49.63 55.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' THR . 60.6 t -55.55 -39.08 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 6.3 m-85 -72.46 -25.32 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.96 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -47.82 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' VAL . 75.8 p -53.32 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -58.66 -41.18 85.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.54 -57.58 4.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.4 m -67.05 -42.38 84.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.76 -59.66 2.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.55 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -37.87 10.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -67.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.3 tp -56.47 -52.3 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.25 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.9 -50.64 11.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.61 -55.77 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -30.68 60.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -33.79 67.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.78 -32.67 65.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -48.16 56.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.31 -47.05 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.39 69.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -49.55 -57.54 6.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.65 -43.87 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.33 -71.51 0.8 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.14 167.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 110.64 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.57 173.33 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 10.7 p90 -167.37 124.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.4 m 58.15 155.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -74.48 79.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -87.33 15.2 6.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -132.78 -46.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 12' ' ' TRP . 4.3 p -169.83 140.2 1.7 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.4 Cg_endo -74.99 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.97 -74.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -33.15 -65.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 1.6 m95 -42.61 -55.0 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -41.14 -50.23 3.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.85 -44.58 94.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.1 m-85 -67.74 -30.78 70.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.48 -41.04 37.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.55 -53.55 50.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.17 98.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -66.29 -25.23 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.82 -53.93 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.16 -53.69 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.19 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.4 m -55.12 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.44 -19.83 20.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.52 -72.29 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -70.82 -41.55 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.509 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 56.0 mt -62.8 -26.43 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.19 -72.41 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -46.65 -42.67 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.6 t -83.92 -27.05 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.57 -51.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 160.25 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 -3.67 61.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 40.5 m -47.55 116.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.658 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -78.32 -43.48 2.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.479 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 2.8 t -57.47 -56.62 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.94 -50.26 64.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.11 -35.05 64.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.02 69.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.7 64.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.38 -60.41 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.55 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.46 -22.73 66.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.13 -67.15 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.8 p -59.81 -42.38 93.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -56.86 -40.7 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.93 -69.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.94 -72.58 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' TYR . 68.4 mt -45.45 -42.94 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.13 -68.21 1.12 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.81 -14.35 44.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 6.5 m-85 -111.39 32.11 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 45.6 tp60 86.51 84.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -179.96 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.8 t 92.82 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.45 -172.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -39.62 123.24 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.92 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -67.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -40.4 -66.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 58' ' ' ASP . 29.1 m -42.74 -44.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.66 31.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.43 -33.65 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.23 -28.93 57.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 tp -66.52 -45.38 79.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.61 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.4 m -51.23 -71.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.4 t -68.29 -20.74 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.71 -56.99 19.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 m -83.91 -47.33 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -51.71 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -83.9 -31.13 25.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.16 -42.09 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 tt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 2.0 tt -70.21 -51.66 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 93' ' ' ALA . 1.4 tp -62.76 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.417 ' N ' ' CG2' ' A' ' 92' ' ' ILE . . . -56.36 -67.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.87 -47.3 9.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.72 -56.23 9.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -30.56 65.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.54 -31.38 66.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.92 -46.04 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 mtp -58.8 -46.2 88.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.03 -56.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -73.21 -51.81 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.31 -40.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.29 -68.44 1.65 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.94 161.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.255 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.06 106.64 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 8.8 ttp -121.91 139.69 53.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.443 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 1.1 m-85 -44.36 -60.25 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 9.1 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 m -49.75 -66.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.47 177.2 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -178.67 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.64 -33.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.3 161.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 12' ' ' TRP . 18.2 Cg_endo -74.97 172.91 15.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.4 tp -57.9 -72.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 10' ' ' LEU . 29.9 m170 -34.3 -65.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.401 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.86 -54.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 3.4 t80 -41.61 -50.25 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.54 -43.05 97.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 t80 -69.32 -27.95 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -75.86 -38.26 36.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -67.76 -52.86 32.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' CG1' ' A' ' 21' ' ' VAL . . . -63.96 -46.47 84.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -67.5 -22.86 65.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -68.71 -54.19 17.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 22' ' ' ALA . 6.2 p -59.24 -42.59 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.424 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -63.64 -64.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 3.3 t -47.15 -68.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -50.55 -29.64 18.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -81.31 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -49.16 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.515 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.8 tt -61.16 -25.03 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -70.26 -74.95 0.63 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.42 -46.25 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 42.9 t -75.0 -21.53 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 81.47 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.01 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.27 44.45 1.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.513 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 5.0 t -91.19 -142.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.91 -53.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -60.49 -54.93 39.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -52.82 -50.7 63.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.6 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.28 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.26 89.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.85 -55.18 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.37 -65.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -18.61 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.83 -64.37 4.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.411 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -66.9 -33.11 74.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.88 -32.74 74.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.93 -57.59 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.9 -58.38 14.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' GLN . 2.2 mt -62.32 -55.6 26.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -44.69 -65.53 1.73 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -56.13 -27.93 55.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 28.5 t80 -89.73 2.01 55.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.5 mt-30 -140.41 -76.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 51' ' ' GLY . 18.4 tp -178.11 131.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m 170.27 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.39 102.04 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.48 109.69 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.86 7.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -56.58 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -41.78 -54.04 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 54' ' ' GLN . 2.3 t -44.17 -51.08 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -51.86 -47.95 64.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.2 t -53.7 -38.07 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -75.2 -27.19 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.03 63.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.46 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -51.05 -72.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -66.1 -19.6 65.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.45 8.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 72' ' ' LEU . 9.0 t -81.33 -48.49 11.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.411 ' N ' HG22 ' A' ' 71' ' ' THR . 0.2 OUTLIER -51.0 -57.1 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . -76.11 -32.21 59.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.98 -44.92 19.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.272 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.94 -70.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -67.97 -33.17 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 92' ' ' ILE . . . -65.38 -72.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.46 -47.3 17.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.6 -54.07 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -27.77 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.32 -27.11 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -46.09 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -41.97 95.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.01 -51.07 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.07 -51.86 65.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.55 ' HA ' ' CD2' ' A' ' 108' ' ' PHE . 79.0 t -54.66 -39.62 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.12 -81.07 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.85 166.27 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.62 136.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.8 ttm -37.81 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 103' ' ' VAL . 8.7 p90 -173.06 102.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.8 m 51.51 176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -39.23 113.64 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.7 t -37.25 -44.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.1 -45.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 m -122.15 164.73 23.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -74.98 176.12 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -55.07 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -35.92 -65.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.505 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t-105 -43.66 -52.18 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.8 t80 -43.23 -49.91 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.75 -41.08 97.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 51.6 t80 -69.24 -31.62 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.54 -44.1 65.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -64.77 -52.2 58.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.24 99.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -69.3 -23.87 63.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.14 -50.26 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.1 -50.25 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 4.2 m -58.83 -69.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.14 -22.61 36.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.02 -74.75 0.52 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 mp -59.89 -38.62 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.54 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 42.6 mt -68.55 -24.91 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.69 -70.16 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -41.83 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 t -83.74 -18.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CA ' ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER 73.88 -63.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.1 -59.49 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . 146.79 -12.34 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER 89.99 148.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -78.57 -43.68 1.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.02 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.8 t -50.04 -62.33 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tt -53.8 -42.8 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.5 -40.91 62.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.99 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.34 -39.5 94.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tp -66.75 -60.82 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -62.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 1.7 t80 -62.79 -20.84 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.49 -63.58 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.9 p -66.93 -44.95 79.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.412 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 2.4 tm? -56.02 -29.35 60.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -77.17 -70.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.96 -55.47 5.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . 8.8 mp -67.03 -44.38 80.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -44.61 -47.64 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.2 29.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.4 t80 -111.18 43.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -176.66 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.31 134.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t 167.08 -44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.85 103.5 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.436 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 m-20 63.33 126.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.97 -20.48 16.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -65.47 -84.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -32.81 -66.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 59' ' ' PRO . 16.3 m -39.58 -55.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' ARG . 60.7 t90 -50.01 -50.65 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 22.0 t -51.4 -39.46 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.32 64.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.79 -48.03 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.78 78.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.6 m -53.84 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -63.99 -19.66 65.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.5 -56.1 26.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 m -79.81 -42.32 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -58.14 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.61 -28.8 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.1 -60.43 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.247 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -64.86 -49.28 71.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.73 -60.57 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.52 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.85 -49.97 8.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.64 -57.29 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.438 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 3.0 t -54.24 -30.16 49.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -36.13 69.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.21 -62.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.1 mtt -50.41 -44.43 55.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 96' ' ' SER . 3.9 t -56.49 -54.87 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.94 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.0 -61.18 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.42 -26.02 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.96 -66.26 2.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.7 t -152.15 85.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.93 154.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 146.22 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 109' ' ' ASN . 90.0 t80 -177.8 169.04 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.2 t-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' SER . 40.6 p 38.0 80.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 85.7 -47.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.6 -59.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 3.6 m -125.4 -45.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 34.9 m -157.53 157.8 30.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -75.03 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.88 -65.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -39.15 -62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t90 -47.03 -48.14 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -47.23 -45.37 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.13 75.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 20' ' ' LEU . . . -75.13 -38.82 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.77 -53.35 48.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.27 78.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -61.46 -26.62 68.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -70.79 -54.95 9.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -50.88 -57.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.93 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 4.1 t -52.72 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -52.34 -18.66 5.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.2 -75.38 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.1 tt -73.53 -38.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.512 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 50.9 mt -63.93 -28.0 44.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -71.39 1.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -44.9 -44.91 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 38.5 t -84.08 -27.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.53 -50.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.88 -167.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.23 -7.64 81.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -52.74 121.01 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.608 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.5 t -82.19 -46.08 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 -56.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -41.15 -61.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.5 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.03 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.82 73.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -59.11 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -63.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.3 t80 -65.1 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.04 -69.81 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -63.73 -39.8 95.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.4 tp -61.22 -30.04 70.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -73.01 -64.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.58 6.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 38.3 mt -57.34 -46.73 83.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -53.3 -40.53 60.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.01 -26.37 61.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 65' ' ' PHE . 56.0 t80 -84.99 -60.14 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.4 mt-30 -84.47 8.22 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER 68.11 -59.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 87.91 19.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -149.54 -53.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.4 129.36 26.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.517 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 18.3 Cg_endo -74.96 -22.63 14.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.31 -69.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' ARG . 24.2 m-80 -37.02 -62.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 59' ' ' PRO . 3.6 p -43.43 -53.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -46.46 -49.64 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.5 t -53.7 -44.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 3.4 m-85 -71.47 -24.16 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.75 -53.34 48.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.5 84.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -55.69 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -64.08 -17.25 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.4 -52.19 54.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 m -81.93 -45.3 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.411 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -54.72 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ILE . . . -47.84 -27.89 5.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 3.6 tt -72.13 -60.74 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.2 tp -62.89 -34.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.88 -49.65 12.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.74 -55.08 15.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' SER . . . . . 0.416 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 4.8 m -56.41 -30.71 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.92 -52.74 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -44.46 93.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 96' ' ' SER . 42.9 t -58.29 -56.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.23 -36.52 71.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -59.88 -52.74 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.416 HG22 ' CE1' ' A' ' 108' ' ' PHE . 70.5 t -56.94 -36.97 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.34 -78.68 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 -177.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m 61.05 148.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.39 149.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CE1' HG22 ' A' ' 103' ' ' VAL . 6.3 t80 -157.18 149.14 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -43.37 164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 55.9 p -38.33 -57.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 54.95 28.75 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -158.1 -49.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' SER . 20.0 m -133.12 151.52 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.95 43.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -46.19 -57.19 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -40.28 -60.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -45.53 -49.83 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.07 -46.7 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -34.89 91.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.64 -33.92 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.51 46.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.54 -49.42 76.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.12 95.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -70.09 -23.09 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -60.74 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 22' ' ' ALA . 10.5 p -53.39 -51.23 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -58.45 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 8.6 m -49.03 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.56 -24.74 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -71.34 0.78 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.76 -48.14 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.493 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 55.9 mt -54.54 -28.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.78 -64.48 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -40.8 -52.16 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 9.7 p -84.14 -23.78 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 18.8 tttt 87.43 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.87 171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 -0.77 21.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.486 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.42 118.72 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.976 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.93 -44.71 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.03 -53.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -48.49 -56.34 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.89 -49.49 71.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.0 -33.64 57.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.2 73.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.37 -32.61 75.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -60.26 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -63.17 -19.19 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.69 -68.77 1.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -41.17 98.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -59.4 -38.33 80.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -67.59 -53.59 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -58.93 -69.94 1.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -53.33 -59.17 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -46.28 -67.57 1.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -42.55 -32.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -69.99 85.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 27.9 mm-40 65.93 24.05 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.505 ' CA ' ' O ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 73.27 170.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -107.54 -15.82 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . 1.3 tt0 -100.39 -60.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 31.1 t0 -39.62 113.61 0.88 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -70.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 2.8 m120 -43.15 -52.61 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.5 t -44.98 -50.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -53.02 -47.18 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.46 -34.11 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.09 -26.61 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -58.14 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -32.42 73.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.16 -66.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -48.77 -44.24 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.2 7.71 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.8 m -61.89 -18.0 58.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -29.45 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.57 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.08 -54.59 2.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -71.69 -68.82 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 tp -63.85 -40.24 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.39 -69.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.39 21.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.13 -59.38 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.29 -29.86 35.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tp -72.98 -37.82 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.38 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 ttp -57.36 -43.73 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 2.3 t -59.51 -46.09 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.54 -29.93 69.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 108' ' ' PHE . 6.0 ttmt -63.07 -46.04 89.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 100' ' ' VAL . 12.8 p -71.61 -31.27 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.25 -46.59 86.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.2 m -71.35 -156.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' MET . 1.7 m -121.41 177.64 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 80.21 -72.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.47 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 67.5 m-85 -76.76 140.73 40.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 m 53.79 170.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 m -74.75 57.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -13.01 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 8' ' ' VAL . 27.4 m -112.15 -52.24 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 12' ' ' TRP . 3.5 p -178.41 141.82 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.04 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 11' ' ' HIS . 1.7 tm? -65.52 -75.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.2 -62.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.597 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.493 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -44.5 -58.05 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 t80 -40.86 -45.31 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.68 93.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.422 1.076 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.29 -45.64 83.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -38.96 97.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.23 -56.45 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.07 74.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -71.31 -26.42 62.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.42 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 22' ' ' ALA . 32.7 m -51.55 -52.07 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -60.44 -48.47 81.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 12.7 t -53.28 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -44.57 -27.2 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.45 -77.96 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mp -68.56 -46.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.527 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 58.7 mt -55.42 -28.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.73 -75.06 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -45.49 -42.41 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.5 t -83.72 -28.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 3.0 tttt 84.7 -59.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.74 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.74 7.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.9 m -68.07 124.71 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.697 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 58.2 t -78.2 -40.64 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 14.3 m -55.34 -56.48 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.03 -49.58 71.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.4 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.57 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.69 80.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.91 -58.58 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.99 -64.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 27.8 m-85 -65.08 -18.01 64.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.39 -71.0 0.87 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 p -64.89 -36.29 83.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 5.8 tt -59.68 -42.87 93.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -64.53 -54.87 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.45 -75.01 0.29 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -47.55 -57.79 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -47.04 -68.93 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -41.32 -30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 65' ' ' PHE . 4.4 m-85 -115.0 46.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 51' ' ' GLY . 3.7 tt0 -173.91 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER 82.78 1.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 38.16 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . 3.1 mt-30 -154.46 -86.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -52.28 115.44 6.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.486 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.99 -32.9 5.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' ASN . 25.6 ttm-85 -61.87 -68.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ARG . 2.3 m120 -39.21 -67.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 59' ' ' PRO . 3.7 p -40.36 -47.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -55.25 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 107.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.6 t -52.04 -37.89 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE1' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -70.42 -32.99 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.75 -27.39 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.01 -56.99 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 1.7 t -50.26 -56.31 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 t -73.84 -24.0 59.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 66' ' ' LEU . . . -61.31 -41.58 99.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.1 p -85.3 -49.57 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -52.34 -45.1 65.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.02 -36.5 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.01 -46.96 20.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.344 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.55 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.3 -73.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.97 -46.45 9.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -29.27 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -40.23 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.6 -45.01 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -54.54 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 101' ' ' ALA . 11.0 p -57.93 -44.04 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 100' ' ' VAL . . . -54.83 -49.3 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -55.45 -48.0 75.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.93 -44.03 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.45 -76.27 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.01 164.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.4 108.05 19.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.46 179.01 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -44.01 61.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 3' ' ' ASP . 13.6 t 45.97 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -98.42 131.51 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.7 59.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t 67.68 58.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.405 ' O ' ' OG ' ' A' ' 5' ' ' SER . 9.8 p -175.52 112.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 164.08 34.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.2 mp -49.08 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 5.1 m80 -38.33 -64.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.1 t-105 -44.63 -49.93 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.6 t80 -45.02 -48.85 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.92 -37.28 94.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 t80 -69.93 -32.08 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -46.67 39.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -62.09 -52.27 64.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.3 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -71.76 -23.77 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -55.21 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 22' ' ' ALA . 30.0 m -56.89 -48.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 21' ' ' VAL . . . -62.73 -59.76 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 43.8 m -45.93 -68.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -27.59 34.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -72.06 0.69 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 tt -65.83 -50.33 71.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.801 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.517 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 28.8 mm -57.36 -22.84 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.46 -74.5 0.94 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.61 -39.79 51.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 70.6 t -83.46 -25.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.78 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.73 44.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.74 38.6 3.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -81.91 -147.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 177.64 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 -54.99 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.61 -53.25 49.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -29.08 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 44' ' ' PHE . . . -73.41 -30.18 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.83 -34.05 53.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.13 -58.01 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -56.27 -56.98 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 29.7 t80 -63.4 -23.66 67.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.1 -58.67 10.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -62.72 -46.91 85.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.56 -40.05 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -66.84 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -46.51 -65.71 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' TYR . 14.8 mt -55.19 -61.37 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LEU . . . -39.95 -76.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.147 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' GLY . . . -38.8 -38.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 3.1 t80 -105.09 63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER 159.26 -59.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD2' ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -166.53 -137.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 3.0 m 37.88 41.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' SER . 1.0 OUTLIER 160.52 83.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 1.7 m-20 61.75 123.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.411 ' C ' HG22 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -75.05 -34.41 3.8 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -68.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -39.52 -64.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 15.3 m -43.56 -47.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 19.8 t90 -48.56 -52.01 24.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.0 t -54.62 -38.62 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.89 -24.76 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.1 -47.42 68.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.83 -35.74 67.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 43.6 m -57.49 -69.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -20.83 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.78 -59.38 10.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 m -81.1 -45.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 tp -44.16 -58.29 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -32.67 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.48 -37.44 12.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.995 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -66.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.44 -60.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.71 -61.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.38 -49.22 61.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.15 -57.22 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.3 p -58.49 -31.8 68.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.83 -29.23 66.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.25 -56.41 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -43.61 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.39 -53.17 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.27 -42.26 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -60.12 -60.52 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.13 -27.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.7 -85.09 0.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.3 t -137.39 113.36 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.33 162.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 101.49 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.08 -48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 2.8 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 22.0 p -50.76 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.6 m -39.91 132.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.9 t -37.52 -66.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.73 -52.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -41.16 122.54 2.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.97 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.56 -54.69 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -61.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.615 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.455 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 6.8 m95 -47.73 -47.93 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -48.0 -44.36 30.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.77 70.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 t80 -73.78 -29.88 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -77.45 -43.25 16.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.28 -46.9 75.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.767 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.42 -49.59 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -63.23 -24.44 67.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 1.9 tp -72.05 -49.25 38.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.48 -56.89 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.74 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -51.74 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.81 -17.2 62.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.67 -70.88 0.92 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.539 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 53.2 mt -69.43 -45.98 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' LYS . 24.6 mt -59.88 -25.02 31.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.5 -68.36 1.54 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.18 -40.94 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 4.7 m -84.02 -25.12 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.5 tttt 90.05 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.04 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -36.95 -38.61 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.56 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.5 OUTLIER 61.98 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.49 -56.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.95 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -62.23 -52.74 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -54.2 14.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.74 -43.49 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -69.97 -31.32 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' SER . . . -64.21 -37.63 94.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -57.34 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 1.1 tp -47.89 -70.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -62.37 -22.38 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -52.99 -73.41 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -69.59 -42.9 73.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 0.774 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.469 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 2.4 tt -49.56 -42.15 43.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -72.56 -72.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -40.57 -67.0 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' GLN . 3.0 mm? -60.05 -39.66 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -38.35 -59.55 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.83 -13.56 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 m-85 -118.35 49.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.7 tt0 179.11 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.99 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.29 41.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.05 84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.476 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER 63.97 130.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.51 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.85 -67.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -53.59 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 40.8 t -44.84 -48.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -47.09 77.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.83 -31.81 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.606 ' CZ ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -79.75 -27.15 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -49.53 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.75 65.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -51.59 -70.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.1 t -67.58 -23.65 65.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.45 -58.52 10.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -81.96 -48.14 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.68 -56.86 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.25 -34.25 42.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.27 -38.72 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -72.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -44.47 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.26 -63.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.03 -48.85 51.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.55 -54.68 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.2 p -60.31 -28.33 68.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.03 -27.17 60.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -46.84 29.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -45.66 91.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.46 -48.37 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.99 57.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -50.42 -57.5 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -43.4 -52.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.89 -81.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.6 175.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.45 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.57 141.52 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 20.2 p90 -169.99 121.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 m 50.1 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' VAL . 2.3 m -109.93 64.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.1 36.51 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t 65.72 40.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 40.3 t -121.62 125.12 26.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.78 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 3.5 tt -47.38 -55.48 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -40.6 -60.7 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -46.12 -48.43 17.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 107.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -48.77 -46.05 40.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.25 76.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 t80 -71.66 -39.23 70.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -39.79 64.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.28 -55.49 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.01 98.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -66.26 -26.72 67.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.25 -50.0 44.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -57.91 -59.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -51.01 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.27 -20.57 22.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -69.06 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.57 -53.38 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.536 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.2 mt -55.36 -23.27 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.08 -79.43 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.7 -39.11 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.9 t -83.64 -29.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 3.0 tttt 88.51 -51.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.51 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . -35.87 -58.23 0.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.545 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.3 OUTLIER 86.09 81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 171.94 -56.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tp -48.73 -56.94 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.12 -41.25 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.52 -35.95 75.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . -59.95 -36.7 91.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -57.42 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -50.76 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 57.8 m-85 -65.38 -19.93 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -58.18 -74.59 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.47 -34.7 74.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' LEU . 8.7 tt -57.72 -47.51 82.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.81 -69.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.12 -71.85 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -47.43 -47.04 27.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -43.12 -72.88 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -49.73 -27.56 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -71.46 -43.19 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 56' ' ' SER . 0.3 OUTLIER 168.18 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.82 -31.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER 163.33 114.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 169.32 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.422 ' O ' HG21 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 62.96 146.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.449 ' O ' HG21 ' A' ' 62' ' ' VAL . 18.2 Cg_endo -74.96 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -60.87 -59.68 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.518 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 6.8 m-20 -41.34 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 59' ' ' PRO . 28.5 m -39.76 -38.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.13 -59.18 4.87 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 61' ' ' ASN . 6.1 m -53.64 -26.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -80.32 -32.07 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.3 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.56 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -50.13 -69.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.6 p -68.79 -20.41 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.8 11.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.9 p -81.47 -44.26 17.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.53 -58.5 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.65 -31.33 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.95 -44.38 18.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -60.32 -70.06 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 93' ' ' ALA . 2.1 tp -71.17 -51.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 92' ' ' ILE . . . -53.79 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.29 46.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.34 -55.78 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -27.93 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -27.64 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -44.52 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 39.9 mtp -65.4 -40.22 93.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.27 -58.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.81 21.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -46.93 -60.72 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -43.7 -49.72 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.32 -72.06 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 106' ' ' SER . 79.6 t -49.86 -95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 174.58 92.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.72 145.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 t80 56.6 111.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.0 m 60.4 144.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -48.91 169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.9 p -69.87 69.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' VAL . 37.6 t 68.82 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' SER . 26.8 m -39.56 121.98 1.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.7 mm? -54.1 -54.42 39.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.39 -65.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.634 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -46.13 -48.24 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -46.74 -47.41 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.63 89.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.8 m-85 -73.2 -29.53 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.1 -49.24 16.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -64.23 -49.11 73.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.36 99.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -70.28 -22.74 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.68 -49.54 46.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.02 -52.44 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 -57.51 12.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.512 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 33.8 m -45.16 -71.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -49.01 -29.63 8.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -75.35 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 mt -58.91 -55.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.522 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -54.78 -24.21 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.53 -80.64 0.66 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -46.49 -39.04 10.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 15.4 t -82.73 -31.66 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 2.1 tttp 87.36 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 160.22 139.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 -3.02 5.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -62.77 122.41 15.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.786 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -76.49 -34.18 1.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.2 m -56.45 -57.87 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -50.0 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.84 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.12 71.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -36.24 77.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -61.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.3 mp -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -57.67 -24.66 57.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.92 3.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 20.0 p -67.6 -21.11 65.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -60.65 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -64.95 -53.91 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.09 -75.11 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -53.35 -61.4 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -42.65 -72.64 0.28 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -49.09 -26.95 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t80 -105.24 27.8 7.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 51' ' ' GLY . 1.8 tt0 -157.55 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 171.13 73.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.69 30.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 58' ' ' ASP . 54.9 tt0 -176.88 97.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 57' ' ' GLN . 51.8 m-20 61.49 130.06 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -63.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -56.43 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.62 -47.35 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.81 -48.28 67.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.07 -35.03 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -26.34 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -47.03 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.64 -44.65 77.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 m -53.35 -63.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -60.78 -29.24 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.95 20.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.7 p -69.01 -49.32 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.87 -41.33 32.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.46 66.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -33.89 30.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.9 mm . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -67.71 -46.06 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.5 tt -62.42 -56.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.54 -71.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.92 -47.28 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -59.07 3.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -28.01 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -71.25 -33.25 69.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.16 -54.31 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -43.98 65.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.83 -50.75 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.03 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' VAL . 6.6 mttt -56.28 -58.78 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' LYS . 70.9 t -39.72 -64.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.33 -58.77 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 106' ' ' SER . 9.8 p -170.11 168.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 105' ' ' VAL . 0.2 OUTLIER 84.98 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.3 174.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -138.36 156.69 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 4' ' ' THR . 10.6 t -65.29 84.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p 49.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -60.5 -17.85 47.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.3 t -138.75 130.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 77.39 135.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 163.17 35.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -48.12 -55.37 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 38.2 m-70 -38.39 -62.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -45.88 -50.22 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.8 t80 -45.71 -46.83 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.52 94.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 20.9 t80 -69.41 -29.93 67.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.47 -39.18 36.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.62 -50.92 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.45 88.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -59.84 -43.1 94.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.08 89.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -50.7 -66.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.43 -48.01 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -48.31 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -46.2 -22.3 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -77.62 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 mm -73.62 -39.8 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 31' ' ' LYS . 59.9 mt -61.15 -31.76 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -73.91 -58.4 4.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.32 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 28.0 t -84.23 -17.85 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 90.27 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.07 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.78 45.54 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.514 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 5.2 t -91.9 -143.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.0 -53.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -75.0 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t -59.95 -55.54 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -50.81 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.62 -34.27 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -67.95 -36.33 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -34.28 81.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -59.47 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -66.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.542 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 34.6 m-85 -59.11 -18.9 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.92 -63.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -38.78 87.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tt -71.01 -22.17 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.561 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -79.38 -51.0 9.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -64.16 -49.73 64.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -71.26 -53.49 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -54.24 -44.11 75.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -75.32 -23.37 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -49.08 -46.65 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' CB ' ' A' ' 61' ' ' ASN . 7.4 mm-40 -158.93 34.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER 67.29 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.49 1.83 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.82 -57.47 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.21 122.5 81.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.518 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 7.4 m-80 -43.26 -51.03 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.6 t -45.06 -50.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -46.36 71.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 68' ' ' THR . 30.3 t -58.1 -32.31 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -75.28 -27.48 59.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.38 -55.4 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 1.8 m -59.8 -67.77 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -53.7 -34.83 60.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.81 -61.79 7.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.5 m -62.67 -48.21 80.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 tp -42.1 -52.54 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' THR . . . -57.29 -60.77 8.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.361 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 5.1 mp -60.52 -33.25 72.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mm -62.36 -58.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.45 -66.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.81 -48.19 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -47.28 -63.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -54.01 -27.75 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -39.34 76.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -49.56 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mtt -52.7 -54.43 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 101' ' ' ALA . 10.6 p -59.92 -42.1 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.42 ' N ' HG11 ' A' ' 100' ' ' VAL . . . -57.66 -41.36 81.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.68 78.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.35 -38.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.88 -61.93 4.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.7 p -173.91 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.48 86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.964 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.15 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 7.1 p90 -178.22 105.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.1 t30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' THR . 7.6 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASP . 38.5 m 53.56 169.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 7' ' ' VAL . 49.2 m -100.59 49.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t 66.64 -73.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' SER . 12.4 p -168.39 42.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 17.2 m -136.14 132.29 19.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.04 157.5 42.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.9 tt -46.43 -54.43 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -40.89 -59.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -46.12 -48.96 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 108.013 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.5 t80 -49.37 -45.57 46.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -33.18 86.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -69.15 -37.39 78.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.87 -41.49 72.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -53.3 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.51 78.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.56 -27.16 62.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.1 -58.9 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.02 -53.35 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.99 -48.28 76.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -50.72 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.05 -23.43 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -75.17 0.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 pt -73.67 -41.46 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.485 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 34.1 mm -60.16 -29.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.17 -64.6 2.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.11 -49.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.2 m -83.64 -23.06 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 87.14 -59.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.17 140.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.87 -3.82 4.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -53.4 131.96 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -79.47 -43.41 1.62 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 13.0 m -51.67 -57.64 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -49.07 73.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.49 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.74 -33.37 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.2 -34.7 81.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -59.2 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -49.47 -61.43 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.86 -17.62 64.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -67.73 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 23.4 m -69.49 -33.2 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.3 tm? -62.35 -42.99 99.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.92 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.43 -70.71 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 46' ' ' SER . 7.1 tp -46.35 -49.75 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -50.33 -64.2 3.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.6 -18.27 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.02 -69.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.554 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -90.25 23.32 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER 27.98 85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -76.18 54.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -156.34 -46.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.38 136.83 29.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.456 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.98 -29.5 8.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.8 mtt180 -63.45 -69.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 76.5 m-20 -39.6 -66.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.459 HG23 ' CA ' ' A' ' 54' ' ' GLN . 2.4 p -40.24 -47.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -55.86 9.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.044 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.6 t -52.93 -37.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.55 67.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -46.68 83.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.11 82.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -58.92 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.89 -54.55 37.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 m -78.62 -41.36 31.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.07 -59.61 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.76 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.45 -57.64 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 0.0 109.267 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -71.94 -36.86 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.58 -69.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.65 -60.66 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.12 -50.49 9.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.42 -63.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -27.78 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -40.43 64.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.515 HD22 ' HZ3' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -69.21 -37.91 78.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -53.13 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 101' ' ' ALA . 33.3 m -61.99 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 100' ' ' VAL . . . -60.84 -31.9 71.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.515 ' HZ3' HD22 ' A' ' 98' ' ' LEU . 11.4 mttt -67.35 -45.47 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.44 -36.92 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.1 -78.75 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 106' ' ' SER . 95.9 t -86.83 166.76 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' SER . . . . . 0.434 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 0.3 OUTLIER 63.4 166.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -95.66 -25.44 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.426 ' N ' ' HG2' ' A' ' 107' ' ' MET . 33.8 t80 55.89 170.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.1 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 5' ' ' SER . 0.6 OUTLIER 52.24 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 4' ' ' THR . 11.4 m -38.89 121.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.521 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 13.7 t -70.01 59.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 6' ' ' SER . 5.9 m 50.86 23.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 6' ' ' SER . 2.4 p 177.66 102.53 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.05 172.73 15.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -53.52 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' LEU . 64.9 m80 -30.32 -65.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.45 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -41.41 -59.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t80 -39.26 -49.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -47.29 89.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 m-85 -67.9 -29.12 68.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -49.85 28.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -60.77 -46.45 90.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.01 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.36 -31.91 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -52.07 28.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.23 -59.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.97 -51.87 68.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 10.1 t -49.57 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.43 -26.41 1.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.51 -79.57 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.476 HG22 ' CG2' ' A' ' 30' ' ' VAL . 13.1 mm -69.61 -46.5 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.555 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.3 mt -55.17 -26.98 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.17 -75.28 1.02 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -42.54 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.0 t -84.02 -27.3 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 18.1 tttt 88.01 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 157.15 62.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.48 44.95 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 88.7 p -91.29 -123.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER 164.09 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.06 -46.67 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.8 t -59.43 -56.44 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -50.11 66.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.7 64.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.86 -32.37 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.48 -32.84 61.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -59.57 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.5 t80 -64.01 -21.13 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.06 -60.65 8.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -46.49 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.757 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 6.2 tp -56.47 -31.46 64.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -70.46 -59.95 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -60.6 -60.91 7.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.64 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.37 -47.33 16.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -54.71 -42.79 71.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 13.4 p90 -150.29 85.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 179.18 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.72 -77.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.33 168.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 73.31 -177.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.49 131.72 1.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -69.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.89 -57.85 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 54' ' ' GLN . 2.1 t -44.69 -46.73 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.35 67.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.72 -32.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -27.3 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.11 -47.5 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.64 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -51.87 -69.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 t -67.72 -21.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.69 -57.17 18.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 m -83.12 -44.84 14.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.8 tp -49.92 -51.76 38.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.53 -29.58 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.9 -52.04 12.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -71.83 -61.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -63.17 -52.15 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 92' ' ' ILE . . . -60.67 -66.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.05 -51.45 8.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -47.41 -56.53 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -35.03 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.4 tt -72.4 -31.94 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.41 -30.92 62.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.4 mtt -71.2 -48.47 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.35 -32.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 97' ' ' LEU . . . -70.39 -44.77 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -61.5 -49.74 75.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -54.41 -47.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.43 -33.18 84.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.98 46.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 58.09 -95.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 mmt 40.01 83.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.35 124.44 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.481 0.181 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -139.27 140.4 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' THR . 61.8 m-20 -108.06 159.13 16.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' ASP . 43.5 m -38.82 -65.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 15.6 p -153.62 111.58 3.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 66.8 m -38.13 -55.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -138.11 -53.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 5' ' ' SER . 42.6 t -40.59 105.29 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.16 16.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.8 mt -57.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t-80 -38.61 -63.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -48.98 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.3 t80 -46.43 -45.63 18.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -36.04 90.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.2 m-85 -69.31 -35.15 75.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.764 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.16 -41.97 52.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -53.45 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.49 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -67.0 -30.11 70.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -44.42 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.3 -55.07 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -52.68 58.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.502 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 27.9 t -45.8 -71.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.42 -30.92 42.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.77 -77.93 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 26.8 mm -61.92 -56.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.505 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -49.99 -25.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.27 -79.34 0.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -45.13 -42.62 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 89.5 t -80.17 -31.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.505 ' CA ' ' O ' ' A' ' 27' ' ' ILE . 2.3 ttmm 87.46 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 164.36 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.49 -15.4 56.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.476 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -41.96 105.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -77.77 -48.75 2.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.476 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -56.66 -58.93 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -53.25 -49.75 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.03 63.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.38 -33.55 71.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.43 -33.8 68.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -57.18 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 2.2 t80 -63.11 -19.15 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.62 -64.54 3.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -63.56 -43.24 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.2 mp -60.58 -32.38 71.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.512 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -67.64 -58.5 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.41 -63.26 5.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 9.8 mp -54.73 -61.3 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.38 -46.12 22.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -57.01 -39.67 75.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.563 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 2.6 p90 -149.7 79.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . 56.9 tp60 -172.74 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tp -176.36 100.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t 179.55 -47.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 7.9 tp60 -112.95 106.3 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.492 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 73.0 m-20 62.18 126.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.426 ' C ' HG21 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -74.95 -32.3 5.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.4 OUTLIER -67.69 -70.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' ARG . 3.6 m120 -38.62 -63.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.492 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 21.1 m -45.04 -49.16 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.401 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 17.2 t90 -52.74 -47.28 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 24.2 t -56.03 -35.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.563 ' CD2' ' HB3' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -76.3 -25.53 54.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -47.67 63.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.86 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.5 m -56.01 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.3 -22.15 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.68 -51.22 60.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -80.01 -48.83 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.18 -56.11 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.27 -32.43 61.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.28 -46.1 21.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.42 -40.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -172.78 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.68 174.46 18.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.51 -66.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -170.73 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 46.8 t80 47.47 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -134.84 148.92 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.2 p-80 -40.38 153.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 5.1 p 165.66 57.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.73 88.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' C ' ' CG ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -179.02 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.542 ' CG ' ' C ' ' A' ' 85' ' ' LYS . 14.4 p90 39.91 31.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -77.78 -51.55 1.77 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -74.94 -85.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 -62.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.03 99.7 2.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 4.3 tt -69.14 -69.5 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.408 HG21 ' N ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -61.94 -41.92 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' N ' HG21 ' A' ' 92' ' ' ILE . . . -60.49 -72.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.85 -52.52 9.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -54.03 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.61 -35.48 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.9 -32.15 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -55.17 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.58 -43.18 75.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 35.6 t -58.84 -54.2 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.47 70.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -60.1 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.5 p -59.99 -23.02 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.02 -78.11 0.46 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 15.8 m -139.88 91.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.9 140.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.3 mtt -58.12 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -147.02 150.12 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -149.11 119.98 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 155.18 0.5 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 87.7 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.455 0.169 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.55 174.61 0.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.8 p -39.17 147.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -61.25 82.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 73.2 p -59.99 -45.13 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.96 -74.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -51.63 113.35 3.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 153.54 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.5 -57.25 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.5 t60 -39.47 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.412 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 5.4 m95 -45.11 -50.32 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -46.93 -47.3 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.45 89.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.5 m-85 -70.66 -35.59 72.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.16 -46.99 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -61.69 -51.21 69.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.29 80.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -60.28 -27.54 67.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.47 -56.23 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -50.21 -58.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.01 82.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.6 m -50.22 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.061 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.64 -18.64 11.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.88 -75.28 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.58 -37.26 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.9 mm -66.69 -27.27 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -68.98 1.45 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -48.93 -43.7 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.87 -21.79 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.511 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 1.5 ttmt 80.7 -56.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 162.18 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.04 -10.56 60.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -45.19 120.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -80.94 -48.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.09 -53.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -44.5 -64.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.12 -46.85 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -51.32 -36.54 43.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.12 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.08 88.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.424 1.077 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.55 -62.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.48 -25.04 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.3 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 71.3 p -65.16 -53.83 39.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -46.28 -32.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -72.99 -71.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -61.42 5.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.405 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -55.9 -46.48 78.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.64 -52.91 18.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.25 61.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -78.83 -58.05 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 174.77 150.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.6 m 157.62 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 118.63 8.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 89.5 m-20 60.73 112.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.18 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -43.07 -54.64 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.411 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 3.2 t -44.38 -49.09 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.33 -48.38 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.65 -34.61 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -28.22 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -49.72 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.75 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 m -45.42 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.91 -26.58 68.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.29 19.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -38.45 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -35.38 62.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . . . -82.21 -47.57 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -32.17 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 24.8 mm -70.1 -54.41 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ALA . 23.6 ptp -147.32 164.11 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -102.58 -137.84 9.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.15 139.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.3 t80 60.77 110.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -146.42 51.27 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 m170 64.41 90.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.576 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.7 t 175.35 48.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.84 64.8 0.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.91 54.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.02 -173.29 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.63 172.83 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.24 4.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.18 44.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 140.31 14.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.59 -38.57 72.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -63.65 -55.28 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -49.66 -69.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.13 -49.88 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.48 -57.33 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.76 -31.77 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.56 -35.04 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -45.76 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -58.6 -44.82 89.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.7 t -62.65 -51.37 72.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 -25.91 65.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -76.51 -43.35 39.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 84.3 t -61.62 -35.63 68.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.35 -68.79 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.42 -179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.337 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -90.77 102.04 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.019 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 177.43 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -121.81 140.8 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -117.52 -39.03 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.09 118.85 8.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.62 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.52 0.2 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' ASP . 92.6 mt-30 -128.61 -72.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 74.77 137.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' ASP . 89.3 m 56.71 160.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -49.31 125.02 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.9 m -60.34 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' VAL . 28.1 t 69.85 -60.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' VAL . 24.7 t -38.82 107.81 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.418 1.746 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.8 mm? -63.32 -67.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LEU . 47.7 m80 -38.46 -63.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -43.94 -50.6 8.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.943 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -46.02 -48.95 16.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.96 92.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.0 m-85 -71.13 -34.54 71.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.8 -46.15 61.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -63.35 -52.97 59.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.46 72.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -76.63 -24.28 53.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.404 HG11 ' N ' ' A' ' 22' ' ' ALA . 12.3 p -64.22 -46.64 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' N ' HG11 ' A' ' 21' ' ' VAL . . . -63.29 -45.28 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.525 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 14.6 m -58.24 -65.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -32.37 46.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -66.65 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.51 -61.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 23' ' ' SER . 1.1 pp -52.58 -21.06 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.41 -82.57 0.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -49.89 -34.05 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.6 t -83.84 -31.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 82.27 -65.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.93 155.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.54 4.03 20.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -65.87 127.93 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.625 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.0 t -79.88 -44.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.6 Cg_endo -74.94 -47.37 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 5.4 t -50.82 -61.22 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.58 -49.41 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.07 -33.4 51.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.71 -37.29 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -35.31 91.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -58.69 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.12 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.5 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 5.3 m-85 -60.3 -20.9 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.63 -67.59 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.8 m -64.57 -48.24 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -51.03 -42.31 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -61.48 -60.88 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.12 -73.17 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 11.1 mp -44.18 -59.42 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.466 ' HA2' ' CB ' ' A' ' 56' ' ' SER . . . -50.33 -48.09 41.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -56.02 -34.22 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.721 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-85 -155.22 83.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -179.07 -72.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.48 70.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -179.68 36.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.05 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -179.81 89.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLN . 1.7 m-20 61.78 130.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.16 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -41.43 -52.7 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 t -44.75 -52.1 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.481 ' CZ3' ' HB2' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -52.52 -46.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 108.032 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 14.9 t -55.96 -36.9 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -77.19 -23.53 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -47.61 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.481 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -71.93 -40.34 68.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.2 m -55.04 -68.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -64.58 -28.96 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.51 -50.62 52.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 m -76.87 -45.84 26.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -46.31 -48.66 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.68 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.73 -47.04 30.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.417 ' O ' ' CB ' ' A' ' 76' ' ' MET . 4.9 tp -48.63 -37.75 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER 166.55 177.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.459 ' HA2' ' CZ ' ' A' ' 80' ' ' PHE . . . 68.9 117.09 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.127 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.9 ttm -106.39 -29.7 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -112.25 -68.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.459 ' CZ ' ' HA2' ' A' ' 77' ' ' GLY . 13.9 p90 -62.89 156.63 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -146.84 -172.85 4.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -41.98 144.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.613 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 6.5 p 169.09 46.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.68 89.3 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 39.98 64.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 83' ' ' SER . 1.4 p90 -136.05 164.91 26.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.545 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER 70.31 151.58 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.96 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.71 -62.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.65 91.11 2.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.1 -61.22 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.67 -65.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.86 -65.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.57 -51.15 10.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.04 -54.72 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.25 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -32.8 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -32.13 68.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -68.97 -49.72 55.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -46.13 89.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -57.96 -50.35 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.96 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -48.5 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.69 -53.69 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.55 -76.46 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.408 HG13 ' N ' ' A' ' 106' ' ' SER . 73.1 t -45.32 150.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.408 ' N ' HG13 ' A' ' 105' ' ' VAL . 36.9 m -85.29 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.1 tpt 179.43 150.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.13 167.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -154.59 148.34 25.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 137.55 61.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.3 t60 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.57 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.44 118.76 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 m 59.14 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -46.62 162.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 88' ' ' PRO . 24.2 m -79.53 54.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 2.4 t 64.64 56.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 7.9 m -154.51 132.77 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.6 mp -50.5 -59.21 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 13.5 m170 -39.27 -59.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 8.4 m95 -45.77 -51.52 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 5.2 t80 -47.86 -45.32 30.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.28 -34.47 89.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -74.96 -31.79 61.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.98 57.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.58 -43.43 72.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.1 78.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -75.18 -22.48 58.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.78 -53.7 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.416 HG21 ' N ' ' A' ' 22' ' ' ALA . 27.8 m -63.5 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.416 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -63.66 -56.09 18.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 27.6 m -47.73 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.424 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -57.43 -26.41 56.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.72 -68.18 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.3 mt -69.34 -53.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.543 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.7 mt -54.31 -23.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.424 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -80.06 0.79 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -39.25 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.4 t -84.1 -30.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.569 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 89.82 -53.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.54 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 -7.35 59.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 51.0 m -42.53 116.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.4 t -79.15 -46.63 1.66 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' SER . 1.7 t -51.82 -60.99 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -47.17 70.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -29.92 62.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.88 -34.05 65.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -59.24 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.42 -59.66 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.3 t80 -66.6 -24.14 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.59 -67.15 2.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -66.91 -48.35 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 4.5 tp -49.71 -38.69 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -71.32 -76.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.45 -63.06 2.57 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -54.62 -61.15 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -42.13 -73.13 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.04 -32.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' SER . 1.9 t80 -106.58 41.06 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' GLY . 6.2 tp60 -173.43 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.7 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.0 37.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.26 83.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.485 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 0.7 OUTLIER 67.72 129.36 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.57 -55.26 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.5 t -45.29 -48.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.41 -47.12 69.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.24 -34.39 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -25.69 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -49.03 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.78 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -52.8 -67.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.473 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.63 -53.92 26.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -74.26 -49.82 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -42.38 -59.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.49 90.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.5 -30.86 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.52 -50.98 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 158.79 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -77.22 -151.31 4.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.56 62.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.71 48.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -166.38 50.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.91 123.66 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -69.89 -47.04 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 m 56.45 55.3 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.55 -138.31 0.59 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.573 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -179.7 59.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 85' ' ' LYS . 14.1 p90 40.64 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.481 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 167.69 -53.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.481 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.95 -31.68 6.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.787 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -170.76 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.89 88.93 1.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -73.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 93' ' ' ALA . 17.8 pt -64.11 -38.72 83.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 92' ' ' ILE . . . -58.32 -75.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.9 -47.5 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.77 -57.97 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.04 -31.53 63.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -34.69 77.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.95 -51.5 25.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.62 -46.48 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 85.7 t -61.72 -51.41 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.26 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -52.22 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.1 -44.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.58 -75.42 0.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.33 160.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -43.51 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.6 174.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.97 151.77 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.419 ' C ' ' HD2' ' A' ' 111' ' ' PRO . 7.4 t-20 -87.35 46.36 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 3.5 ttp85 -41.15 -50.2 8.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 110' ' ' ARG . 18.3 Cg_endo -74.96 66.46 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.463 0.173 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -149.99 -64.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.13 148.65 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -42.61 152.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.9 t -59.77 -32.31 70.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t 66.92 -71.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.451 ' C ' ' CG2' ' A' ' 8' ' ' VAL . 15.6 m -95.88 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.514 HG12 ' CD2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER 41.45 91.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.26 3.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -46.48 -57.45 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LEU . 28.0 t60 -38.67 -65.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.514 ' CD2' HG12 ' A' ' 8' ' ' VAL . 2.2 t90 -46.46 -47.53 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.46 -46.35 37.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.64 71.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -73.97 -33.54 63.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 0.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -74.2 -48.4 15.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -49.67 73.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.99 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -51.68 -32.85 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 5.3 tt -68.92 -50.57 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 t -50.52 -58.29 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.77 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.404 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.5 m -49.12 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.98 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.41 -31.14 3.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -77.44 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.72 -52.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.542 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 14.7 mm -52.81 -24.14 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.22 -78.11 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.93 -40.09 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 45.6 t -83.56 -28.1 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.57 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 1.4 tttp 88.75 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.57 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.48 44.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.18 44.89 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.512 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 4.6 t -90.07 -138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.7 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.96 -47.51 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -60.4 -54.41 45.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -51.21 63.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.73 -29.56 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.28 -31.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.93 -34.87 58.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -59.58 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -57.83 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.501 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 26.9 t80 -63.99 -22.33 66.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.71 -62.46 5.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 58.1 m -62.76 -45.01 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.419 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -60.97 -28.23 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.501 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -74.72 -76.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -49.6 -50.21 31.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 46' ' ' SER . 6.5 tp -64.23 -61.51 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -39.85 -56.79 2.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.9 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.573 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 45.0 m-85 -104.85 52.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.552 ' N ' ' CE2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -178.12 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -179.62 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.74 42.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.2 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 63.21 132.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -67.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -54.52 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 2.6 t -42.82 -50.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -49.76 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.4 -34.63 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -74.63 -33.35 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.79 -49.61 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.83 78.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 m -55.87 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.67 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.42 -58.43 8.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 m -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -45.39 -59.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.26 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.06 -39.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.78 -61.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.9 178.74 8.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' MET . . . -168.3 -163.16 21.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER 78.75 -60.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.83 135.72 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.89 159.19 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.61 -50.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -51.87 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.551 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.54 75.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 179.49 36.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.455 ' HB3' ' CG ' ' A' ' 88' ' ' PRO . 6.8 mttt -114.45 -45.71 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 67.36 -63.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.48 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 1.5 mtp -38.18 -52.63 3.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.99 -86.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.78 167.38 12.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -129.04 53.48 0.8 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -66.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.59 -44.6 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.07 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.07 -49.38 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.9 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -27.85 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -38.52 74.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.29 -33.05 69.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -51.94 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.406 HG22 ' N ' ' A' ' 101' ' ' ALA . 33.8 m -69.29 -28.92 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.406 ' N ' HG22 ' A' ' 100' ' ' VAL . . . -69.88 -45.0 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.0 mttt -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.3 p -56.94 -30.55 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.31 -40.94 91.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -164.96 133.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.93 101.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -40.76 -64.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 166.59 165.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.85 157.79 33.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.43 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 10.2 p80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.06 158.35 7.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . 8.3 m-20 -70.56 167.78 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . 9.0 t -42.54 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' THR . 51.5 p -37.92 -40.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 60.65 145.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.6 t 64.23 -81.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 13.4 m -67.3 133.81 93.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 18.3 Cg_endo -75.06 166.76 28.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.79 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 5.2 p-80 -40.58 -53.85 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.46 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t-105 -47.29 -53.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -49.1 -41.08 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.45 91.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -68.5 -35.99 78.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.45 -40.13 60.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.42 1.075 . . . . 0.0 110.982 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.74 -44.53 89.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.05 79.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.1 -52.62 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.79 -58.53 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.32 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -49.99 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -50.43 -26.78 10.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -72.78 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.508 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 9.0 mt -71.43 -50.32 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.508 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.2 mm -53.29 -27.33 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.42 -72.86 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.15 -43.7 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 26' ' ' ILE . 2.9 p -83.52 -27.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.52 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.92 -63.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 161.69 151.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.52 5.28 8.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.501 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 m -64.8 129.33 39.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -80.28 -43.28 1.39 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.93 -42.37 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 6.7 t -56.83 -57.13 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -54.12 -50.74 66.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.79 57.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.1 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.58 -32.96 79.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 25.0 m-85 -62.36 -18.53 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.16 -66.7 2.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -63.25 -44.2 95.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -56.59 -42.31 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.523 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -61.14 -58.58 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.18 -76.24 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' CB ' HD12 ' A' ' 55' ' ' LEU . 6.5 mp -44.28 -59.41 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.9 -67.28 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.588 1.18 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -48.23 -23.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 4.7 m-85 -95.7 30.15 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.4 OUTLIER 51.08 88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.467 HD12 ' CB ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -145.81 -46.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.93 62.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.77 -73.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.495 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 47.8 m-20 -133.16 155.63 80.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -53.62 -66.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.24 -51.24 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 18.3 t -45.09 -49.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.08 -46.27 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 108.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.57 -32.54 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.0 t80 -79.58 -25.24 41.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.15 -49.99 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.15 69.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -72.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -66.69 -22.53 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.4 -52.46 47.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -80.98 -42.4 21.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.67 -58.02 5.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.453 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . . . -81.11 -30.55 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.93 -43.84 17.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt -46.79 -59.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.543 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 1.1 mpp? -96.14 -170.81 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.45 -160.07 1.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.93 83.13 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.78 -53.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.543 ' CD2' ' HG2' ' A' ' 76' ' ' MET . 0.3 OUTLIER -40.21 136.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 1.9 m-85 -175.16 55.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 47.19 -172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -167.68 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' SER . . . 58.87 121.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.96 42.71 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 173.57 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.58 167.75 17.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 64.16 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 88' ' ' PRO . . . 166.3 -42.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.79 66.89 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -73.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.473 ' CD1' ' N ' ' A' ' 93' ' ' ALA . 2.7 pp -65.54 -50.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.473 ' N ' ' CD1' ' A' ' 92' ' ' ILE . . . -54.21 -67.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.18 -46.13 15.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.42 -61.2 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -56.45 -28.33 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.74 -35.41 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.82 -57.48 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.03 -52.03 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.72 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.82 -40.13 75.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.61 -51.56 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.9 t -50.93 -39.72 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.78 -81.58 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.06 155.97 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -72.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 51.9 48.16 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.29 -68.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.56 -166.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER 167.3 -54.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 110' ' ' ARG . 18.3 Cg_endo -75.06 60.56 5.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.1 t60 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 tmm? . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.482 0.182 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -170.2 157.67 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -43.79 151.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.5 m -52.5 153.01 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -73.7 91.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -88.99 -55.77 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -44.94 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -126.58 114.8 22.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.9 11.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -47.1 -60.38 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LEU . 9.1 t-160 -36.17 -53.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.65 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -52.31 -56.66 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -52.81 -28.08 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.57 -36.97 47.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.15 -28.82 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.32 -46.21 13.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.57 -44.49 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.07 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.89 -25.16 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' CD2' ' C ' ' A' ' 20' ' ' LEU . 2.3 tt -70.7 -49.9 42.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.411 ' N ' HD23 ' A' ' 20' ' ' LEU . 54.1 t -58.16 -57.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.59 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.0 m -53.08 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.39 -24.54 23.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -73.9 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.91 -49.37 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.8 mm -55.37 -25.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.53 -75.9 0.96 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.67 -41.12 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.0 t -83.91 -28.18 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.538 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 86.94 -64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.538 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 160.69 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.86 3.71 6.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.497 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.4 OUTLIER -60.43 132.41 53.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.647 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.63 -43.96 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.497 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 6.6 t -53.78 -58.07 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.93 -51.04 67.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.17 -31.72 53.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.68 -36.38 73.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.13 -32.68 76.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.99 -63.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 2.0 t80 -60.73 -22.97 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.06 -67.51 2.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 80.5 p -60.72 -51.98 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.464 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -49.17 -47.28 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.516 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -54.66 -65.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' ' CE1' ' A' ' 53' ' ' TYR . . . -61.62 -78.31 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 2.2 mp -39.05 -61.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.7 -48.11 29.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -57.02 -36.52 70.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.571 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 3.2 p90 -146.99 79.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 1.1 tm0? -176.69 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER 164.11 73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 52.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -171.27 -46.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 3.5 m-20 -167.62 148.28 4.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -83.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -61.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 27.7 m-80 -40.49 -60.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.3 t -44.74 -47.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -49.63 55.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.492 ' O ' ' CG2' ' A' ' 68' ' ' THR . 60.6 t -55.55 -39.08 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 6.3 m-85 -72.46 -25.32 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.96 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -47.82 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.492 ' CG2' ' O ' ' A' ' 64' ' ' VAL . 75.8 p -53.32 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -58.66 -41.18 85.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.54 -57.58 4.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.4 m -67.05 -42.38 84.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.76 -59.66 2.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.55 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -37.87 10.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.2 mt -55.15 -63.64 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.74 166.22 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.54 140.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 ttt -70.93 -53.44 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -101.45 159.54 15.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.2 p90 -37.55 117.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -85.96 -23.52 26.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.78 175.97 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -139.82 25.72 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 87' ' ' MET . . . -118.45 -36.37 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -58.61 -60.56 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.15 91.48 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.46 ' CB ' ' HB2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -172.93 140.53 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 60.88 5.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.65 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.92 60.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 87' ' ' MET . 1.0 OUTLIER -68.17 -67.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 4.3 tp -56.47 -52.3 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -51.25 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.9 -50.64 11.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.61 -55.77 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -30.68 60.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -33.79 67.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.78 -32.67 65.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -48.16 56.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.31 -47.05 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.39 69.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -49.55 -57.54 6.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.65 -43.87 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.33 -71.51 0.8 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.14 167.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 110.64 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.57 173.33 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 10.7 p90 -167.37 124.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.8 t-20 -105.08 -58.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.549 ' C ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 26.7 74.2 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.5 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 48.12 97.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -160.46 142.88 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.4 m 58.15 155.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -74.48 79.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -87.33 15.2 6.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -132.78 -46.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.478 ' CG2' ' HB3' ' A' ' 12' ' ' TRP . 4.3 p -169.83 140.2 1.7 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.4 Cg_endo -74.99 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.97 -74.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -33.15 -65.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 1.6 m95 -42.61 -55.0 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -41.14 -50.23 3.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.85 -44.58 94.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.1 m-85 -67.74 -30.78 70.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.48 -41.04 37.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.55 -53.55 50.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.17 98.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -66.29 -25.23 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.82 -53.93 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.16 -53.69 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.19 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.4 m -55.12 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.44 -19.83 20.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.52 -72.29 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -70.82 -41.55 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.509 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 56.0 mt -62.8 -26.43 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.19 -72.41 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -46.65 -42.67 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.6 t -83.92 -27.05 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.57 -51.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 160.25 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 -3.67 61.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 40.5 m -47.55 116.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.658 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -78.32 -43.48 2.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.479 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 2.8 t -57.47 -56.62 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.94 -50.26 64.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.11 -35.05 64.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.06 -32.02 69.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.7 64.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.38 -60.41 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.55 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.46 -22.73 66.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.13 -67.15 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.8 p -59.81 -42.38 93.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -56.86 -40.7 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.93 -69.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.94 -72.58 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 53' ' ' TYR . 68.4 mt -45.45 -42.94 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.13 -68.21 1.12 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.81 -14.35 44.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 6.5 m-85 -111.39 32.11 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 45.6 tp60 86.51 84.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -179.96 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.8 t 92.82 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.45 -172.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -39.62 123.24 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.92 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -67.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -40.4 -66.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 58' ' ' ASP . 29.1 m -42.74 -44.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.66 31.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.43 -33.65 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.23 -28.93 57.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 4.9 tp -66.52 -45.38 79.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.61 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.4 m -51.23 -71.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.4 t -68.29 -20.74 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.71 -56.99 19.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 m -83.91 -47.33 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.6 -51.71 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 76' ' ' MET . . . -83.9 -31.13 25.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.16 -42.09 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.2 tt -60.96 -29.75 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -99.56 -179.62 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.5 -149.9 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 80' ' ' PHE . 2.0 mtt180 -119.55 111.33 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 62.1 m-85 -162.93 166.67 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 44.21 -163.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.8 t60 77.37 62.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 t -174.06 44.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' LYS . . . -90.26 115.96 4.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER 34.89 69.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' LYS . 1.4 m-85 47.96 69.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.471 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -66.31 -51.88 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.471 ' CD ' ' N ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 88' ' ' PRO . . . 169.35 -40.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.87 57.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 2.0 tt -70.21 -51.66 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 93' ' ' ALA . 1.4 tp -62.76 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.417 ' N ' ' CG2' ' A' ' 92' ' ' ILE . . . -56.36 -67.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.87 -47.3 9.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.72 -56.23 9.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -30.56 65.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.54 -31.38 66.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.92 -46.04 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 mtp -58.8 -46.2 88.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.03 -56.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -73.21 -51.81 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.31 -40.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.29 -68.44 1.65 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 94.3 t -60.94 161.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.255 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -69.06 106.64 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.422 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 8.8 ttp -121.91 139.69 53.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 1.1 m-85 -44.36 -60.25 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 9.1 t-20 77.77 177.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 60.89 125.91 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.78 3.6 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.471 0.177 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -166.86 136.8 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.71 -65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 m -49.75 -66.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.47 177.2 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -178.67 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.64 -33.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 174.3 161.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HB2' ' A' ' 12' ' ' TRP . 18.2 Cg_endo -74.97 172.91 15.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.4 tp -57.9 -72.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 10' ' ' LEU . 29.9 m170 -34.3 -65.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.401 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.86 -54.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 3.4 t80 -41.61 -50.25 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.54 -43.05 97.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 t80 -69.32 -27.95 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -75.86 -38.26 36.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -67.76 -52.86 32.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.421 ' O ' ' CG1' ' A' ' 21' ' ' VAL . . . -63.96 -46.47 84.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -67.5 -22.86 65.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.514 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -68.71 -54.19 17.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 22' ' ' ALA . 6.2 p -59.24 -42.59 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.424 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -63.64 -64.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.508 ' O ' ' CG2' ' A' ' 27' ' ' ILE . 3.3 t -47.15 -68.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -50.55 -29.64 18.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -81.31 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -53.98 -49.16 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.515 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.8 tt -61.16 -25.03 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -70.26 -74.95 0.63 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.42 -46.25 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 42.9 t -75.0 -21.53 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.562 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 81.47 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.01 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.27 44.45 1.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.513 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 5.0 t -91.19 -142.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.91 -53.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.1 m -60.49 -54.93 39.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -52.82 -50.7 63.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.6 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.79 -33.28 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.26 89.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.85 -55.18 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.37 -65.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -18.61 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.83 -64.37 4.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.411 ' HB2' ' CD1' ' A' ' 50' ' ' LEU . 0.7 OUTLIER -66.9 -33.11 74.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.88 -32.74 74.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.93 -57.59 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.9 -58.38 14.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 54' ' ' GLN . 2.2 mt -62.32 -55.6 26.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -44.69 -65.53 1.73 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . . . -56.13 -27.93 55.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 28.5 t80 -89.73 2.01 55.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.5 mt-30 -140.41 -76.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 51' ' ' GLY . 18.4 tp -178.11 131.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m 170.27 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.39 102.04 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.48 109.69 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.86 7.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -56.58 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -41.78 -54.04 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 54' ' ' GLN . 2.3 t -44.17 -51.08 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -51.86 -47.95 64.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.2 t -53.7 -38.07 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -75.2 -27.19 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.03 63.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.46 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -51.05 -72.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.508 ' O ' ' CB ' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -66.1 -19.6 65.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.45 8.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 72' ' ' LEU . 9.0 t -81.33 -48.49 11.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.411 ' N ' HG22 ' A' ' 71' ' ' THR . 0.2 OUTLIER -51.0 -57.1 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.508 ' CB ' ' O ' ' A' ' 69' ' ' SER . . . -76.11 -32.21 59.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.98 -44.92 19.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mm -63.29 -63.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 179.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.39 -127.39 3.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.3 89.79 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -142.12 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.562 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -121.47 -65.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 80' ' ' PHE . 15.2 p90 -140.49 135.06 31.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.523 ' O ' ' CB ' ' A' ' 83' ' ' SER . 42.3 t60 -45.98 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.3 OUTLIER 86.78 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.967 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -128.14 53.08 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -125.34 -45.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.415 ' O ' ' SD ' ' A' ' 87' ' ' MET . 66.6 t80 53.27 82.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.482 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 170.23 -53.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.1 Cg_endo -74.99 -66.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.68 126.16 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.14 50.28 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.94 -70.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.415 HG21 ' N ' ' A' ' 93' ' ' ALA . 0.0 OUTLIER -67.97 -33.17 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.415 ' N ' HG21 ' A' ' 92' ' ' ILE . . . -65.38 -72.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.46 -47.3 17.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.6 -54.07 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -27.77 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.32 -27.11 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -46.09 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -41.97 95.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.01 -51.07 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.07 -51.86 65.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.55 ' HA ' ' CD2' ' A' ' 108' ' ' PHE . 79.0 t -54.66 -39.62 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.12 -81.07 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.85 166.27 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.62 136.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.8 ttm -37.81 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.55 ' CD2' ' HA ' ' A' ' 103' ' ' VAL . 8.7 p90 -173.06 102.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -121.65 119.87 33.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.89 158.82 87.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.544 0.211 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 50.04 98.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -155.38 170.93 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 49.8 m 51.51 176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 0.9 OUTLIER -39.23 113.64 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.7 t -37.25 -44.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.1 -45.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 m -122.15 164.73 23.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -74.98 176.12 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -55.07 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -35.92 -65.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.505 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t-105 -43.66 -52.18 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.8 t80 -43.23 -49.91 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.75 -41.08 97.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 51.6 t80 -69.24 -31.62 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.54 -44.1 65.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -64.77 -52.2 58.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.24 99.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -69.3 -23.87 63.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.14 -50.26 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.1 -50.25 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 4.2 m -58.83 -69.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.14 -22.61 36.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.02 -74.75 0.52 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.7 mp -59.89 -38.62 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.54 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 42.6 mt -68.55 -24.91 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.69 -70.16 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -41.83 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.5 t -83.74 -18.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CA ' ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER 73.88 -63.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.1 -59.49 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . 146.79 -12.34 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER 89.99 148.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -78.57 -43.68 1.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.02 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.8 t -50.04 -62.33 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tt -53.8 -42.8 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.5 -40.91 62.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.99 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.34 -39.5 94.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tp -66.75 -60.82 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -62.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.448 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 1.7 t80 -62.79 -20.84 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.49 -63.58 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.9 p -66.93 -44.95 79.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.412 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 2.4 tm? -56.02 -29.35 60.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.448 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -77.17 -70.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.96 -55.47 5.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . 8.8 mp -67.03 -44.38 80.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -44.61 -47.64 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.2 29.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.4 t80 -111.18 43.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -176.66 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.31 134.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t 167.08 -44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.85 103.5 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.436 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 1.1 m-20 63.33 126.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.485 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.97 -20.48 16.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -65.47 -84.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -32.81 -66.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 ' CG2' ' HA ' ' A' ' 59' ' ' PRO . 16.3 m -39.58 -55.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.42 ' N ' ' O ' ' A' ' 60' ' ' ARG . 60.7 t90 -50.01 -50.65 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 22.0 t -51.4 -39.46 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.32 64.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.79 -48.03 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.78 78.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.6 m -53.84 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -63.99 -19.66 65.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.5 -56.1 26.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 m -79.81 -42.32 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -58.14 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.61 -28.8 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.1 -60.43 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -48.43 -34.55 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.499 ' HE3' ' CZ ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER -98.36 -167.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.8 -154.68 22.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.75 153.86 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.76 92.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.499 ' CZ ' ' HE3' ' A' ' 76' ' ' MET . 0.3 OUTLIER -171.28 127.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.34 168.5 16.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 97.33 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.4 m -107.73 68.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.77 123.43 8.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.431 ' HG3' ' CB ' ' A' ' 93' ' ' ALA . 10.7 ttpt -87.79 62.41 6.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -168.54 169.75 10.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.41 171.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -175.42 70.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.98 107.76 0.77 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.491 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -64.86 -49.28 71.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.73 -60.57 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.431 ' CB ' ' HG3' ' A' ' 85' ' ' LYS . . . -48.52 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.85 -49.97 8.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.491 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.64 -57.29 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.438 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 3.0 t -54.24 -30.16 49.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -36.13 69.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.21 -62.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.1 mtt -50.41 -44.43 55.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.438 ' CG2' ' O ' ' A' ' 96' ' ' SER . 3.9 t -56.49 -54.87 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.94 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.0 -61.18 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.42 -26.02 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.96 -66.26 2.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 96.7 t -152.15 85.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.93 154.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 146.22 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 109' ' ' ASN . 90.0 t80 -177.8 169.04 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.2 t-20 170.32 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -73.66 157.89 86.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 62.45 5.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.603 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.49 0.186 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 3' ' ' ASP . 0.7 OUTLIER -156.72 158.61 37.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER 50.41 -179.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' SER . 40.6 p 38.0 80.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 85.7 -47.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.6 -59.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 8' ' ' VAL . 3.6 m -125.4 -45.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.508 ' CG1' ' O ' ' A' ' 7' ' ' VAL . 34.9 m -157.53 157.8 30.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -75.03 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.88 -65.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -39.15 -62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t90 -47.03 -48.14 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -47.23 -45.37 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.13 75.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 20' ' ' LEU . . . -75.13 -38.82 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.77 -53.35 48.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.27 78.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -61.46 -26.62 68.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.407 ' CD1' ' O ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -70.79 -54.95 9.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -50.88 -57.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.44 -43.93 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 4.1 t -52.72 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -52.34 -18.66 5.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.2 -75.38 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.1 tt -73.53 -38.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.512 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 50.9 mt -63.93 -28.0 44.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -71.39 1.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -44.9 -44.91 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 38.5 t -84.08 -27.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.558 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.53 -50.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.558 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.88 -167.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.23 -7.64 81.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.491 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -52.74 121.01 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.608 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.5 t -82.19 -46.08 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 -56.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.491 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -41.15 -61.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.5 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.03 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.82 73.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -59.11 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -63.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.3 t80 -65.1 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.04 -69.81 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -63.73 -39.8 95.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.4 tp -61.22 -30.04 70.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -73.01 -64.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.58 6.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 38.3 mt -57.34 -46.73 83.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -53.3 -40.53 60.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.01 -26.37 61.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 65' ' ' PHE . 56.0 t80 -84.99 -60.14 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.488 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 7.4 mt-30 -84.47 8.22 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER 68.11 -59.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 87.91 19.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -149.54 -53.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.4 129.36 26.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.517 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 18.3 Cg_endo -74.96 -22.63 14.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.31 -69.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' ARG . 24.2 m-80 -37.02 -62.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.517 ' CG1' ' O ' ' A' ' 59' ' ' PRO . 3.6 p -43.43 -53.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -46.46 -49.64 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.5 t -53.7 -44.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 3.4 m-85 -71.47 -24.16 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.75 -53.34 48.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.5 84.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -55.69 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.3 m -64.08 -17.25 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.4 -52.19 54.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 m -81.93 -45.3 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.411 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -54.72 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ILE . . . -47.84 -27.89 5.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 74' ' ' GLY . 0.2 OUTLIER -39.84 -34.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.12 150.16 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.5 168.9 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 ttt -93.28 -56.7 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 86.69 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -166.7 175.15 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -169.3 -177.47 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -164.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 p -164.6 40.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 46.03 -136.89 8.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -166.41 53.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 87' ' ' MET . 55.8 t80 55.66 95.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER 165.81 -52.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 87' ' ' MET . 18.1 Cg_endo -75.04 -8.17 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 178.32 -71.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.21 69.38 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 3.6 tt -72.13 -60.74 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.2 tp -62.89 -34.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.88 -49.65 12.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.74 -55.08 15.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' SER . . . . . 0.416 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 4.8 m -56.41 -30.71 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.92 -52.74 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -44.46 93.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 96' ' ' SER . 42.9 t -58.29 -56.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.23 -36.52 71.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -59.88 -52.74 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.416 HG22 ' CE1' ' A' ' 108' ' ' PHE . 70.5 t -56.94 -36.97 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.34 -78.68 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 -177.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m 61.05 148.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.39 149.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.416 ' CE1' HG22 ' A' ' 103' ' ' VAL . 6.3 t80 -157.18 149.14 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t30 175.35 132.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 1.3 mtp-105 -108.13 163.73 16.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.504 0.192 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -174.93 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.21 179.38 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -43.37 164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 55.9 p -38.33 -57.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 54.95 28.75 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -158.1 -49.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.497 ' O ' ' CB ' ' A' ' 5' ' ' SER . 20.0 m -133.12 151.52 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.95 43.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -46.19 -57.19 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -40.28 -60.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -45.53 -49.83 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.07 -46.7 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -34.89 91.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.64 -33.92 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.51 46.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.54 -49.42 76.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.12 95.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -70.09 -23.09 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.17 -60.74 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 22' ' ' ALA . 10.5 p -53.39 -51.23 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' N ' HG12 ' A' ' 21' ' ' VAL . . . -58.45 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 8.6 m -49.03 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.438 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.56 -24.74 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -71.34 0.78 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 mp -75.76 -48.14 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.248 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.493 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 55.9 mt -54.54 -28.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.438 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.78 -64.48 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -40.8 -52.16 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 9.7 p -84.14 -23.78 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.548 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 18.8 tttt 87.43 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.548 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.87 171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 -0.77 21.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.486 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.42 118.72 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.976 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.93 -44.71 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.03 -53.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.486 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -48.49 -56.34 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.89 -49.49 71.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.0 -33.64 57.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.3 -35.2 73.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.37 -32.61 75.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -60.26 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -63.17 -19.19 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.69 -68.77 1.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -41.17 98.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -59.4 -38.33 80.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -67.59 -53.59 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -58.93 -69.94 1.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 0.4 OUTLIER -53.33 -59.17 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -46.28 -67.57 1.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -42.55 -32.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -69.99 85.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 27.9 mm-40 65.93 24.05 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' CA ' ' O ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 73.27 170.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -107.54 -15.82 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . 1.3 tt0 -100.39 -60.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.479 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 31.1 t0 -39.62 113.61 0.88 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -70.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 2.8 m120 -43.15 -52.61 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.5 t -44.98 -50.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -53.02 -47.18 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.46 -34.11 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.09 -26.61 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -58.14 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -32.42 73.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.16 -66.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -48.77 -44.24 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.2 7.71 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.8 m -61.89 -18.0 58.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -29.45 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.525 ' HB1' ' CE2' ' A' ' 81' ' ' TYR . . . -81.35 -30.57 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.08 -54.59 2.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' A' ' 76' ' ' MET . 10.5 mm -92.87 -59.29 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 9.2 ttp 83.34 122.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.6 -110.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -74.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.576 HH21 ' HZ3' ' A' ' 85' ' ' LYS . 9.9 mmt-85 -133.17 109.11 9.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 2.1 t80 -179.87 167.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.525 ' CE2' ' HB1' ' A' ' 73' ' ' ALA . 4.5 t80 70.15 -58.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -53.8 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.9 OUTLIER 162.51 -28.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -84.1 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.576 ' HZ3' HH21 ' A' ' 79' ' ' ARG . 0.0 OUTLIER -178.2 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 87' ' ' MET . 43.1 p90 178.52 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.506 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -40.06 -53.91 4.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.3 Cg_endo -74.94 -33.85 4.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . -169.94 118.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.57 58.26 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -71.69 -68.82 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 tp -63.85 -40.24 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.39 -69.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.39 21.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.13 -59.38 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.29 -29.86 35.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tp -72.98 -37.82 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.38 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 ttp -57.36 -43.73 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.441 ' O ' ' CG1' ' A' ' 103' ' ' VAL . 2.3 t -59.51 -46.09 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -67.54 -29.93 69.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.47 ' CG ' ' HB3' ' A' ' 108' ' ' PHE . 6.0 ttmt -63.07 -46.04 89.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 100' ' ' VAL . 12.8 p -71.61 -31.27 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.25 -46.59 86.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 13.2 m -71.35 -156.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' MET . 1.7 m -121.41 177.64 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 80.21 -72.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.47 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 67.5 m-85 -76.76 140.73 40.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -148.96 -56.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -179.54 146.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.95 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.582 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.03 172.23 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -177.31 161.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 77.7 m 53.79 170.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.4 m -74.75 57.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -13.01 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 8' ' ' VAL . 27.4 m -112.15 -52.24 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.493 ' CG2' ' HB3' ' A' ' 12' ' ' TRP . 3.5 p -178.41 141.82 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' HD2' ' CG2' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.04 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 11' ' ' HIS . 1.7 tm? -65.52 -75.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.2 -62.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.597 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.493 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -44.5 -58.05 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 t80 -40.86 -45.31 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.68 93.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.422 1.076 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.29 -45.64 83.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -38.96 97.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.23 -56.45 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.07 74.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -71.31 -26.42 62.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.42 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.418 HG21 ' N ' ' A' ' 22' ' ' ALA . 32.7 m -51.55 -52.07 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' N ' HG21 ' A' ' 21' ' ' VAL . . . -60.44 -48.47 81.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.505 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 12.7 t -53.28 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.418 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -44.57 -27.2 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.45 -77.96 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mp -68.56 -46.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.527 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 58.7 mt -55.42 -28.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.73 -75.06 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -45.49 -42.41 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.5 t -83.72 -28.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.552 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 3.0 tttt 84.7 -59.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.552 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.74 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.74 7.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.9 m -68.07 124.71 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.697 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 58.2 t -78.2 -40.64 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.449 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 14.3 m -55.34 -56.48 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.03 -49.58 71.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.4 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.03 -34.57 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.69 80.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.91 -58.58 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.99 -64.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.407 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 27.8 m-85 -65.08 -18.01 64.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.39 -71.0 0.87 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 p -64.89 -36.29 83.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 5.8 tt -59.68 -42.87 93.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -64.53 -54.87 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.45 -75.01 0.29 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -47.55 -57.79 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -47.04 -68.93 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -41.32 -30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 65' ' ' PHE . 4.4 m-85 -115.0 46.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 51' ' ' GLY . 3.7 tt0 -173.91 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER 82.78 1.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 38.16 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . 3.1 mt-30 -154.46 -86.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -52.28 115.44 6.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.486 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.99 -32.9 5.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' ASN . 25.6 ttm-85 -61.87 -68.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ARG . 2.3 m120 -39.21 -67.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.486 ' CG1' ' O ' ' A' ' 59' ' ' PRO . 3.7 p -40.36 -47.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -55.25 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 107.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.6 t -52.04 -37.89 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.498 ' CE1' ' CD2' ' A' ' 53' ' ' TYR . 0.7 OUTLIER -70.42 -32.99 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.75 -27.39 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.01 -56.99 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.464 ' CG2' ' HA ' ' A' ' 65' ' ' PHE . 1.7 t -50.26 -56.31 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.2 t -73.84 -24.0 59.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 66' ' ' LEU . . . -61.31 -41.58 99.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.1 p -85.3 -49.57 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -52.34 -45.1 65.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -85.02 -36.5 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.01 -46.96 20.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -43.17 -32.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -124.77 -171.75 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.36 -155.13 5.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 ttt -84.94 93.92 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -147.0 -63.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.0 t80 56.24 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.4 t80 59.02 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -170.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.57 61.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -153.62 85.8 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER 167.44 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.683 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 27.8 t80 57.36 14.21 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.483 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -69.35 -51.75 16.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -75.01 85.78 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 70.06 -72.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.413 ' HA3' ' CD1' ' A' ' 86' ' ' PHE . . . 130.48 85.01 0.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.55 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.683 ' CB ' ' CD1' ' A' ' 86' ' ' PHE . . . -60.3 -73.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.97 -46.45 9.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -29.27 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -40.23 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.6 -45.01 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -54.54 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.406 HG12 ' N ' ' A' ' 101' ' ' ALA . 11.0 p -57.93 -44.04 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.406 ' N ' HG12 ' A' ' 100' ' ' VAL . . . -54.83 -49.3 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -55.45 -48.0 75.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.93 -44.03 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.45 -76.27 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.01 164.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.4 108.05 19.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.46 179.01 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -44.01 61.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 54.43 -174.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.69 105.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.86 17.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.521 0.201 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -157.84 148.05 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' CG2' ' A' ' 4' ' ' THR . 0.2 OUTLIER -150.82 165.4 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.41 ' CG2' ' O ' ' A' ' 3' ' ' ASP . 13.6 t 45.97 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -98.42 131.51 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.7 59.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG23 ' CE1' ' A' ' 82' ' ' HIS . 46.5 t 67.68 58.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.405 ' O ' ' OG ' ' A' ' 5' ' ' SER . 9.8 p -175.52 112.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 164.08 34.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.2 mp -49.08 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 5.1 m80 -38.33 -64.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.1 t-105 -44.63 -49.93 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.6 t80 -45.02 -48.85 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.92 -37.28 94.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 t80 -69.93 -32.08 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -46.67 39.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -62.09 -52.27 64.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.3 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -71.76 -23.77 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -55.21 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 22' ' ' ALA . 30.0 m -56.89 -48.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' N ' HG22 ' A' ' 21' ' ' VAL . . . -62.73 -59.76 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 43.8 m -45.93 -68.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -27.59 34.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -72.06 0.69 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.0 tt -65.83 -50.33 71.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.801 . . . . 0.0 109.284 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.517 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 28.8 mm -57.36 -22.84 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.401 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.46 -74.5 0.94 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.61 -39.79 51.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 70.6 t -83.46 -25.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.78 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.564 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.73 44.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.74 38.6 3.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.5 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.3 OUTLIER -81.91 -147.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 177.64 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -62.72 -54.99 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.61 -53.25 49.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -29.08 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.432 ' O ' ' CB ' ' A' ' 44' ' ' PHE . . . -73.41 -30.18 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.83 -34.05 53.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.13 -58.01 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -56.27 -56.98 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 29.7 t80 -63.4 -23.66 67.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.1 -58.67 10.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 89.3 p -62.72 -46.91 85.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.56 -40.05 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -66.84 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -46.51 -65.71 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' TYR . 14.8 mt -55.19 -61.37 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LEU . . . -39.95 -76.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.147 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 51' ' ' GLY . . . -38.8 -38.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 3.1 t80 -105.09 63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 0.5 OUTLIER 159.26 -59.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.439 ' CD2' ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -166.53 -137.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 3.0 m 37.88 41.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' SER . 1.0 OUTLIER 160.52 83.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 1.7 m-20 61.75 123.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' C ' HG22 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -75.05 -34.41 3.8 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -68.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -39.52 -64.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.519 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 15.3 m -43.56 -47.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 19.8 t90 -48.56 -52.01 24.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.0 t -54.62 -38.62 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.89 -24.76 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.1 -47.42 68.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.83 -35.74 67.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 43.6 m -57.49 -69.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -20.83 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.78 -59.38 10.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 m -81.1 -45.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.4 tp -44.16 -58.29 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -32.67 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.48 -37.44 12.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 7.0 tt -49.47 -39.33 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttm -153.81 111.1 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.42 -142.9 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.5 mtt 52.2 100.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 169.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 4.7 p90 -158.12 165.12 35.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.64 117.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 86' ' ' PHE . 1.9 p-80 -57.87 -168.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 2.7 p 157.86 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.65 -70.78 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 58.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' CD2' ' CD2' ' A' ' 82' ' ' HIS . 86.5 m-85 -121.37 178.76 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.1 66.58 8.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -177.48 44.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.61 46.57 65.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -57.04 -66.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.44 -60.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.71 -61.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.38 -49.22 61.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.15 -57.22 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 54.3 p -58.49 -31.8 68.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.83 -29.23 66.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -73.25 -56.41 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -43.61 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.3 t -63.39 -53.17 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.27 -42.26 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -60.12 -60.52 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.13 -27.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.7 -85.09 0.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.3 t -137.39 113.36 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.33 162.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 101.49 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.08 -48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 60.93 151.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.85 151.88 93.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 103.84 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.616 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.546 0.213 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -108.3 -41.7 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 2.8 p30 -102.33 173.35 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 22.0 p -50.76 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.6 m -39.91 132.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.9 t -37.52 -66.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.73 -52.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -41.16 122.54 2.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.455 ' HD2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.97 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.56 -54.69 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -61.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.615 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.455 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 6.8 m95 -47.73 -47.93 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -48.0 -44.36 30.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.77 70.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 t80 -73.78 -29.88 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -77.45 -43.25 16.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.28 -46.9 75.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.767 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.42 -49.59 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -63.23 -24.44 67.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 1.9 tp -72.05 -49.25 38.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.48 -56.89 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.74 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 1.0 OUTLIER -51.74 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.81 -17.2 62.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.67 -70.88 0.92 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.539 ' O ' ' CG2' ' A' ' 30' ' ' VAL . 53.2 mt -69.43 -45.98 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' LYS . 24.6 mt -59.88 -25.02 31.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.5 -68.36 1.54 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.18 -40.94 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.539 ' CG2' ' O ' ' A' ' 26' ' ' ILE . 4.7 m -84.02 -25.12 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.551 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 5.5 tttt 90.05 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.551 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.04 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -36.95 -38.61 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.56 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.5 OUTLIER 61.98 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.56 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.49 -56.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.95 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -62.23 -52.74 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.22 -54.2 14.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -50.74 -43.49 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -69.97 -31.32 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' SER . . . -64.21 -37.63 94.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -57.34 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 1.1 tp -47.89 -70.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -62.37 -22.38 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -52.99 -73.41 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -69.59 -42.9 73.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 0.774 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.469 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 2.4 tt -49.56 -42.15 43.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -72.56 -72.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -40.57 -67.0 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' GLN . 3.0 mm? -60.05 -39.66 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -38.35 -59.55 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.83 -13.56 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 m-85 -118.35 49.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.7 tt0 179.11 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.99 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.29 41.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.05 84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.476 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 0.8 OUTLIER 63.97 130.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.51 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.85 -67.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -53.59 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.476 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 40.8 t -44.84 -48.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -47.09 77.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.83 -31.81 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.606 ' CZ ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -79.75 -27.15 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -49.53 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.75 65.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -51.59 -70.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 11.1 t -67.58 -23.65 65.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.45 -58.52 10.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -81.96 -48.14 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.68 -56.86 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -79.25 -34.25 42.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.27 -38.72 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.28 -63.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.88 -176.88 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.84 -179.9 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER 40.55 67.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 50.07 -92.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER 67.14 119.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 51.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' A' ' 83' ' ' SER . 14.3 m-70 65.91 152.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.4 OUTLIER 157.43 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -98.74 -35.31 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER 162.68 63.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' MET . 24.7 m-85 -104.55 10.87 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' PHE . 2.8 mtt 35.02 62.91 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.427 ' HD3' ' N ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.7 -22.51 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.49 48.85 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -72.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -44.47 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.26 -63.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.03 -48.85 51.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.55 -54.68 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 81.2 p -60.31 -28.33 68.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.03 -27.17 60.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -46.84 29.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -45.66 91.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 53.5 t -64.46 -48.37 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.99 57.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.432 ' HB3' ' CB ' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -50.42 -57.5 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -43.4 -52.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.89 -81.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -123.6 175.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.45 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.57 141.52 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 20.2 p90 -169.99 121.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -153.41 90.74 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -49.44 151.28 2.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 73.46 4.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.5 t60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.554 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.485 0.184 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 175.95 157.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -132.97 153.85 51.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 m 50.1 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' VAL . 2.3 m -109.93 64.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.1 36.51 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 55.3 t 65.72 40.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' N ' ' O ' ' A' ' 5' ' ' SER . 40.3 t -121.62 125.12 26.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.78 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 3.5 tt -47.38 -55.48 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -40.6 -60.7 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -46.12 -48.43 17.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 107.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -48.77 -46.05 40.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.25 76.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 t80 -71.66 -39.23 70.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -39.79 64.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.28 -55.49 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.01 98.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -66.26 -26.72 67.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.25 -50.0 44.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -57.91 -59.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -51.01 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.415 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.27 -20.57 22.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -69.06 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.57 -53.38 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.536 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.2 mt -55.36 -23.27 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.08 -79.43 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.7 -39.11 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.9 t -83.64 -29.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 3.0 tttt 88.51 -51.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.546 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 158.51 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.513 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . -35.87 -58.23 0.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.545 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 0.3 OUTLIER 86.09 81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.545 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 171.94 -56.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tp -48.73 -56.94 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.12 -41.25 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.52 -35.95 75.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . -59.95 -36.7 91.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -57.42 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -50.76 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 57.8 m-85 -65.38 -19.93 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -58.18 -74.59 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.47 -34.7 74.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' LEU . 8.7 tt -57.72 -47.51 82.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.81 -69.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.12 -71.85 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 46' ' ' SER . 0.0 OUTLIER -47.43 -47.04 27.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -43.12 -72.88 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -49.73 -27.56 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -71.46 -43.19 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.419 ' C ' ' N ' ' A' ' 56' ' ' SER . 0.3 OUTLIER 168.18 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.3 OUTLIER -39.82 -31.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER 163.33 114.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 169.32 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.422 ' O ' HG21 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 62.96 146.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.449 ' O ' HG21 ' A' ' 62' ' ' VAL . 18.2 Cg_endo -74.96 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -60.87 -59.68 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.518 ' O ' ' CG2' ' A' ' 64' ' ' VAL . 6.8 m-20 -41.34 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.449 HG21 ' O ' ' A' ' 59' ' ' PRO . 28.5 m -39.76 -38.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.13 -59.18 4.87 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 61' ' ' ASN . 6.1 m -53.64 -26.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -80.32 -32.07 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -45.3 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.56 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -50.13 -69.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 60.6 p -68.79 -20.41 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.8 11.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.9 p -81.47 -44.26 17.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.53 -58.5 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.65 -31.33 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.95 -44.38 18.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.87 -41.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.483 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -90.97 -179.36 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.46 -141.82 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.04 -67.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.55 149.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -179.0 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -49.71 -178.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.15 67.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 83' ' ' SER . 6.7 t 166.65 42.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -77.11 -40.74 23.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER 168.59 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.466 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 28.4 p90 -177.71 63.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.59 140.65 3.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.14 34.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.91 26.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.487 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -60.32 -70.06 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.402 ' CG2' ' N ' ' A' ' 93' ' ' ALA . 2.1 tp -71.17 -51.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 92' ' ' ILE . . . -53.79 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.29 46.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.34 -55.78 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -27.93 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -27.64 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -44.52 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 39.9 mtp -65.4 -40.22 93.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.27 -58.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.81 21.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -46.93 -60.72 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 55.8 t -43.7 -49.72 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.32 -72.06 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.415 HG12 ' N ' ' A' ' 106' ' ' SER . 79.6 t -49.86 -95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.415 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 174.58 92.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.72 145.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 t80 56.6 111.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.91 -50.22 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.33 157.0 1.04 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.03 5.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.625 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.514 0.197 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 175.75 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.0 m 60.4 144.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -48.91 169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.9 p -69.87 69.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' VAL . 37.6 t 68.82 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' SER . 26.8 m -39.56 121.98 1.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.7 mm? -54.1 -54.42 39.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.39 -65.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.634 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -46.13 -48.24 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -46.74 -47.41 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.63 89.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.8 m-85 -73.2 -29.53 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.1 -49.24 16.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -64.23 -49.11 73.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.36 99.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -70.28 -22.74 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.68 -49.54 46.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.02 -52.44 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 -57.51 12.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.512 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 33.8 m -45.16 -71.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -49.01 -29.63 8.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -75.35 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.2 mt -58.91 -55.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.522 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 1.0 OUTLIER -54.78 -24.21 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.416 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.53 -80.64 0.66 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -46.49 -39.04 10.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 15.4 t -82.73 -31.66 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.544 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 2.1 tttp 87.36 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.544 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 160.22 139.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 -3.02 5.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -62.77 122.41 15.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.786 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -76.49 -34.18 1.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.2 m -56.45 -57.87 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -50.0 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.84 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.89 -34.12 71.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -36.24 77.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -61.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.3 mp -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -57.67 -24.66 57.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.92 3.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 20.0 p -67.6 -21.11 65.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.485 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -60.65 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -64.95 -53.91 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.09 -75.11 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -53.35 -61.4 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.485 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -42.65 -72.64 0.28 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -49.09 -26.95 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t80 -105.24 27.8 7.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.483 ' N ' ' O ' ' A' ' 51' ' ' GLY . 1.8 tt0 -157.55 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 171.13 73.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.69 30.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.421 ' O ' ' O ' ' A' ' 58' ' ' ASP . 54.9 tt0 -176.88 97.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 57' ' ' GLN . 51.8 m-20 61.49 130.06 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -63.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -56.43 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.2 t -45.62 -47.35 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.81 -48.28 67.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.07 -35.03 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -26.34 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -47.03 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.64 -44.65 77.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 m -53.35 -63.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -60.78 -29.24 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.95 20.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 20.7 p -69.01 -49.32 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.87 -41.33 32.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.46 66.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -33.89 30.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 32.9 mm -69.27 -62.33 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.19 179.31 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.81 -121.07 4.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.1 mtp 63.35 177.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -69.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 6.6 t80 -169.57 40.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 3.4 t80 70.0 -58.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.88 -167.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.3 p -154.96 50.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.39 -145.23 18.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.81 60.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.36 -154.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.94 170.15 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.81 3.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' GLY . . . -165.41 -52.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . -37.06 141.83 0.23 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.512 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -67.71 -46.06 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.5 tt -62.42 -56.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -50.54 -71.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.92 -47.28 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.512 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -59.07 3.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -28.01 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -71.25 -33.25 69.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.16 -54.31 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.53 -43.98 65.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.94 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.83 -50.75 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.03 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' VAL . 6.6 mttt -56.28 -58.78 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 102' ' ' LYS . 70.9 t -39.72 -64.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.33 -58.77 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 106' ' ' SER . 9.8 p -170.11 168.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 105' ' ' VAL . 0.2 OUTLIER 84.98 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.3 174.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 15.4 m-85 -138.36 156.69 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -47.33 -72.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' ASN . 3.8 ptm180 36.69 68.48 1.48 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.99 16.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.555 0.217 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -101.11 107.48 18.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.84 139.28 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.462 ' O ' ' CG2' ' A' ' 4' ' ' THR . 10.6 t -65.29 84.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p 49.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -60.5 -17.85 47.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.3 t -138.75 130.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER 77.39 135.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 163.17 35.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -48.12 -55.37 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 38.2 m-70 -38.39 -62.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -45.88 -50.22 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.8 t80 -45.71 -46.83 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.52 94.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 20.9 t80 -69.41 -29.93 67.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.47 -39.18 36.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -66.62 -50.92 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.45 88.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -59.84 -43.1 94.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.08 89.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 84.0 t -50.7 -66.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.43 -48.01 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.421 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -48.31 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -46.2 -22.3 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -77.62 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 mm -73.62 -39.8 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.486 ' O ' ' C ' ' A' ' 31' ' ' LYS . 59.9 mt -61.15 -31.76 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -73.91 -58.4 4.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.32 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 28.0 t -84.23 -17.85 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.553 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 90.27 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.553 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.07 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.78 45.54 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.514 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 5.2 t -91.9 -143.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.0 -53.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -75.0 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.6 t -59.95 -55.54 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -50.81 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.62 -34.27 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.4 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -67.95 -36.33 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -34.28 81.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -59.47 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -66.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.542 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 34.6 m-85 -59.11 -18.9 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.92 -63.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -38.78 87.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.8 tt -71.01 -22.17 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.561 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -79.38 -51.0 9.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -64.16 -49.73 64.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -71.26 -53.49 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -54.24 -44.11 75.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.561 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -75.32 -23.37 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -49.08 -46.65 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' CB ' ' A' ' 61' ' ' ASN . 7.4 mm-40 -158.93 34.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER 67.29 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.49 1.83 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.82 -57.47 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -66.21 122.5 81.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.518 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 7.4 m-80 -43.26 -51.03 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 52.6 t -45.06 -50.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -46.36 71.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 68' ' ' THR . 30.3 t -58.1 -32.31 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -75.28 -27.48 59.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.38 -55.4 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 1.8 m -59.8 -67.77 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -53.7 -34.83 60.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.81 -61.79 7.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.5 m -62.67 -48.21 80.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 tp -42.1 -52.54 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' THR . . . -57.29 -60.77 8.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 76' ' ' MET . 5.0 mp -106.0 -65.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.361 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.415 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 2.8 mtt 166.63 -162.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 138.14 141.88 4.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mtt -70.67 100.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -165.43 170.18 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.53 91.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.3 t80 179.84 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 81' ' ' TYR . 23.6 m-70 -53.02 -173.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.5 p 174.14 57.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.24 63.37 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 -136.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 p90 175.95 -33.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.439 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -47.29 175.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -74.96 62.7 5.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.9 -45.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.94 118.69 6.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.499 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 5.1 mp -60.52 -33.25 72.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mm -62.36 -58.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.45 -66.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.81 -48.19 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -47.28 -63.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -54.01 -27.75 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.87 -39.34 76.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -49.56 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mtt -52.7 -54.43 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.42 HG11 ' N ' ' A' ' 101' ' ' ALA . 10.6 p -59.92 -42.1 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.42 ' N ' HG11 ' A' ' 100' ' ' VAL . . . -57.66 -41.36 81.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.68 78.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.35 -38.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.88 -61.93 4.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 12.7 p -173.91 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.321 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.48 86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.964 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.15 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 7.1 p90 -178.22 105.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -169.67 96.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -98.03 162.1 23.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 100.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.578 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.497 0.189 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 164.98 28.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' THR . 7.6 p-10 -151.51 147.51 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASP . 38.5 m 53.56 169.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.419 ' O ' ' N ' ' A' ' 7' ' ' VAL . 49.2 m -100.59 49.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t 66.64 -73.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' SER . 12.4 p -168.39 42.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 17.2 m -136.14 132.29 19.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.04 157.5 42.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.9 tt -46.43 -54.43 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -40.89 -59.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -46.12 -48.96 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 108.013 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.5 t80 -49.37 -45.57 46.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -33.18 86.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -69.15 -37.39 78.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.87 -41.49 72.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -53.3 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.51 78.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.56 -27.16 62.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.1 -58.9 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 7.1 p -54.02 -53.35 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.99 -48.28 76.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -50.72 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.05 -23.43 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -75.17 0.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.7 pt -73.67 -41.46 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.485 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 34.1 mm -60.16 -29.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.17 -64.6 2.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.11 -49.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 2.2 m -83.64 -23.06 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.547 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 87.14 -59.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.547 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 159.17 140.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.87 -3.82 4.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -53.4 131.96 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -79.47 -43.41 1.62 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 13.0 m -51.67 -57.64 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -49.07 73.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.49 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.74 -33.37 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.262 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.2 -34.7 81.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -59.2 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -49.47 -61.43 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.86 -17.62 64.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -67.73 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 23.4 m -69.49 -33.2 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.468 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.3 tm? -62.35 -42.99 99.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.92 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.43 -70.71 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 46' ' ' SER . 7.1 tp -46.35 -49.75 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -50.33 -64.2 3.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.6 -18.27 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.02 -69.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.554 ' O ' ' C ' ' A' ' 55' ' ' LEU . 0.7 OUTLIER -90.25 23.32 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER 27.98 85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -76.18 54.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -156.34 -46.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -126.38 136.83 29.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.456 ' HA ' ' CG1' ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.98 -29.5 8.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.8 mtt180 -63.45 -69.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 76.5 m-20 -39.6 -66.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.459 HG23 ' CA ' ' A' ' 54' ' ' GLN . 2.4 p -40.24 -47.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -55.86 9.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.044 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.6 t -52.93 -37.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.55 67.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -46.68 83.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.11 82.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -58.92 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.89 -54.55 37.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 m -78.62 -41.36 31.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.07 -59.61 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.76 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.45 -57.64 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 pt -51.97 -32.48 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -98.88 -173.07 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.44 176.72 16.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.92 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -101.82 74.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -175.58 165.38 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -159.62 117.28 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 -176.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.644 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.5 p -140.21 38.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.01 -53.98 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.069 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.47 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 178.34 -57.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.437 ' N ' ' HD3' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -175.38 62.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.437 ' HD3' ' N ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -75.01 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.54 48.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -143.29 11.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -71.94 -36.86 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.58 -69.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.65 -60.66 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.12 -50.49 9.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.527 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.42 -63.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.23 -27.78 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -40.43 64.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.515 HD22 ' HZ3' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -69.21 -37.91 78.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -53.13 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.403 HG21 ' N ' ' A' ' 101' ' ' ALA . 33.3 m -61.99 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.403 ' N ' HG21 ' A' ' 100' ' ' VAL . . . -60.84 -31.9 71.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.515 ' HZ3' HD22 ' A' ' 98' ' ' LEU . 11.4 mttt -67.35 -45.47 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.44 -36.92 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.1 -78.75 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 106' ' ' SER . 95.9 t -86.83 166.76 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' SER . . . . . 0.434 ' N ' ' CG1' ' A' ' 105' ' ' VAL . 0.3 OUTLIER 63.4 166.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -95.66 -25.44 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.426 ' N ' ' HG2' ' A' ' 107' ' ' MET . 33.8 t80 55.89 170.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.1 t-20 -173.19 99.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' CB ' ' CD ' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -65.02 174.1 1.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 110' ' ' ARG . 18.2 Cg_endo -75.0 143.52 29.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.81 -46.86 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -169.95 165.45 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.416 ' CG2' ' N ' ' A' ' 5' ' ' SER . 0.6 OUTLIER 52.24 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' N ' ' CG2' ' A' ' 4' ' ' THR . 11.4 m -38.89 121.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.521 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 13.7 t -70.01 59.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.521 ' CG2' ' O ' ' A' ' 6' ' ' SER . 5.9 m 50.86 23.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.48 ' CG1' ' O ' ' A' ' 6' ' ' SER . 2.4 p 177.66 102.53 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.05 172.73 15.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -53.52 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' LEU . 64.9 m80 -30.32 -65.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.45 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -41.41 -59.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t80 -39.26 -49.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -47.29 89.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 m-85 -67.9 -29.12 68.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -49.85 28.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -60.77 -46.45 90.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.01 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.36 -31.91 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -52.07 28.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.23 -59.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.97 -51.87 68.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.449 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 10.1 t -49.57 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.43 -26.41 1.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.51 -79.57 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.476 HG22 ' CG2' ' A' ' 30' ' ' VAL . 13.1 mm -69.61 -46.5 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.555 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.3 mt -55.17 -26.98 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.17 -75.28 1.02 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -42.54 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.0 t -84.02 -27.3 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.578 ' O ' ' CB ' ' A' ' 32' ' ' ALA . 18.1 tttt 88.01 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.578 ' CB ' ' O ' ' A' ' 31' ' ' LYS . . . 157.15 62.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.48 44.95 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.505 ' O ' ' CG2' ' A' ' 35' ' ' VAL . 88.7 p -91.29 -123.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.511 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER 164.09 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.06 -46.67 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 36.8 t -59.43 -56.44 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -50.11 66.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.7 64.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.86 -32.37 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.48 -32.84 61.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -59.57 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.44 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.5 t80 -64.01 -21.13 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.06 -60.65 8.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -46.49 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.757 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 6.2 tp -56.47 -31.46 64.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -70.46 -59.95 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -60.6 -60.91 7.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.6 mp -57.64 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.37 -47.33 16.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.52 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -54.71 -42.79 71.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 13.4 p90 -150.29 85.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 179.18 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.72 -77.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.33 168.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 73.31 -177.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.49 131.72 1.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -69.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.89 -57.85 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 54' ' ' GLN . 2.1 t -44.69 -46.73 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.35 67.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.72 -32.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -27.3 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.11 -47.5 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.64 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -51.87 -69.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.7 t -67.72 -21.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.69 -57.17 18.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 m -83.12 -44.84 14.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.8 tp -49.92 -51.76 38.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -84.53 -29.58 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.9 -52.04 12.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.6 tp -58.26 -49.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 19.8 mmt -55.81 -73.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.43 -154.59 24.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 147.74 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.03 125.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -45.95 162.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -107.84 -42.68 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -41.51 105.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.569 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 3.3 p 165.12 67.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.49 -75.38 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -138.7 43.55 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 3.3 p90 -178.64 143.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.16 151.49 0.38 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.514 ' O ' ' CB ' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 88' ' ' PRO . . . 160.98 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.65 80.09 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.523 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -71.83 -61.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.401 ' CG2' ' N ' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -63.17 -52.15 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.401 ' N ' ' CG2' ' A' ' 92' ' ' ILE . . . -60.67 -66.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.05 -51.45 8.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -47.41 -56.53 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -53.74 -35.03 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.4 tt -72.4 -31.94 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.41 -30.92 62.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 12.4 mtt -71.2 -48.47 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 9.9 p -73.35 -32.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 97' ' ' LEU . . . -70.39 -44.77 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -61.5 -49.74 75.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 56.1 t -54.41 -47.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.43 -33.18 84.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.98 46.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 58.09 -95.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 mmt 40.01 83.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.35 124.44 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.5 t-20 -77.27 -69.37 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER 35.76 71.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.84 14.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 p80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' THR . 61.8 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' ASP . 43.5 m -38.82 -65.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 15.6 p -153.62 111.58 3.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 66.8 m -38.13 -55.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -138.11 -53.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 5' ' ' SER . 42.6 t -40.59 105.29 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.16 16.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.8 mt -57.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t-80 -38.61 -63.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -48.98 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.3 t80 -46.43 -45.63 18.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -36.04 90.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.2 m-85 -69.31 -35.15 75.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.764 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.16 -41.97 52.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -53.45 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.49 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' PHE . . . -67.0 -30.11 70.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -44.42 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.3 -55.07 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -52.68 58.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.662 ' O ' HG22 ' A' ' 27' ' ' ILE . 27.9 t -45.8 -71.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 27' ' ' ILE . . . -53.42 -30.92 42.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.77 -77.93 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 26' ' ' ILE . 26.8 mm -61.92 -56.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -49.99 -25.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.27 -79.34 0.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -45.13 -42.62 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 89.5 t -80.17 -31.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.676 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 2.3 ttmm 87.46 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 164.36 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.49 -15.4 56.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -41.96 105.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -77.77 -48.75 2.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -56.66 -58.93 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -53.25 -49.75 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.03 63.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.38 -33.55 71.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.43 -33.8 68.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -57.18 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.649 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.2 t80 -63.11 -19.15 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.62 -64.54 3.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -63.56 -43.24 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.2 mp -60.58 -32.38 71.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -67.64 -58.5 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.41 -63.26 5.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 9.8 mp -54.73 -61.3 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.38 -46.12 22.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -57.01 -39.67 75.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 2.6 p90 -149.7 79.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . 56.9 tp60 -172.74 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tp -176.36 100.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t 179.55 -47.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 62' ' ' VAL . 7.9 tp60 -112.95 106.3 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.749 ' O ' HG22 ' A' ' 62' ' ' VAL . 73.0 m-20 62.18 126.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -32.3 5.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -67.69 -70.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' ARG . 3.6 m120 -38.62 -63.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.749 HG22 ' O ' ' A' ' 58' ' ' ASP . 21.1 m -45.04 -49.16 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.424 ' N ' HG23 ' A' ' 62' ' ' VAL . 17.2 t90 -52.74 -47.28 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' ARG . 24.2 t -56.03 -35.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -76.3 -25.53 54.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -47.67 63.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.86 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.5 m -56.01 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -68.3 -22.15 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.68 -51.22 60.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -80.01 -48.83 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.18 -56.11 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -75.27 -32.43 61.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.28 -46.1 21.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 4.3 tt -69.14 -69.5 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.92 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.49 -72.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.85 -52.52 9.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -54.03 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -54.61 -35.48 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.9 -32.15 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -55.17 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.58 -43.18 75.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 96' ' ' SER . 35.6 t -58.84 -54.2 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.47 70.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -60.1 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 100' ' ' VAL . 12.5 p -59.99 -23.02 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.02 -78.11 0.46 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 105' ' ' VAL . 15.8 m -139.88 91.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.9 140.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.3 mtt -58.12 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -147.02 150.12 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.8 p -39.17 147.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -61.25 82.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 73.2 p -59.99 -45.13 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.96 -74.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -51.63 113.35 3.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 153.54 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.5 -57.25 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.5 t60 -39.47 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.412 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 5.4 m95 -45.11 -50.32 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -46.93 -47.3 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.45 89.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.5 m-85 -70.66 -35.59 72.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -69.16 -46.99 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -61.69 -51.21 69.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.29 80.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -60.28 -27.54 67.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -69.47 -56.23 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -50.21 -58.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.01 82.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.6 m -50.22 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.061 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.64 -18.64 11.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.88 -75.28 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.58 -37.26 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.9 mm -66.69 -27.27 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -68.98 1.45 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -48.93 -43.7 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.87 -21.79 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.5 ttmt 80.7 -56.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 162.18 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.04 -10.56 60.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -45.19 120.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -80.94 -48.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.09 -53.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -44.5 -64.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.12 -46.85 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -51.32 -36.54 43.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.12 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.08 88.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.424 1.077 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.55 -62.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 6.9 t80 -62.48 -25.04 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.3 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.505 ' HB2' HD13 ' A' ' 50' ' ' LEU . 71.3 p -65.16 -53.83 39.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -46.28 -32.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -72.99 -71.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -61.42 5.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 46' ' ' SER . 0.4 OUTLIER -55.9 -46.48 78.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.64 -52.91 18.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.25 61.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -78.83 -58.05 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 174.77 150.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.6 m 157.62 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 118.63 8.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 62' ' ' VAL . 89.5 m-20 60.73 112.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.18 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -43.07 -54.64 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 58' ' ' ASP . 3.2 t -44.38 -49.09 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.33 -48.38 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.65 -34.61 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -28.22 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -49.72 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.75 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 m -45.42 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.91 -26.58 68.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.29 19.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -38.45 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -35.38 62.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.21 -47.57 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -32.17 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.402 ' HA ' HD13 ' A' ' 75' ' ' ILE . 24.8 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.59 -38.57 72.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -63.65 -55.28 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -49.66 -69.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.13 -49.88 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.48 -57.33 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -54.76 -31.77 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.56 -35.04 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -45.76 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -58.6 -44.82 89.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 96' ' ' SER . 53.7 t -62.65 -51.37 72.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 -25.91 65.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -76.51 -43.35 39.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 99' ' ' MET . 84.3 t -61.62 -35.63 68.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.35 -68.79 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 106' ' ' SER . 0.3 OUTLIER -57.42 -179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.483 ' N ' HG13 ' A' ' 105' ' ' VAL . 0.6 OUTLIER -90.77 102.04 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 177.43 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -121.81 140.8 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' ASP . 89.3 m 56.71 160.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -49.31 125.02 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.9 m -60.34 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' VAL . 28.1 t 69.85 -60.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' VAL . 24.7 t -38.82 107.81 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.418 1.746 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.8 mm? -63.32 -67.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LEU . 47.7 m80 -38.46 -63.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -43.94 -50.6 8.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.943 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -46.02 -48.95 16.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.96 92.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.0 m-85 -71.13 -34.54 71.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.8 -46.15 61.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -63.35 -52.97 59.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.46 72.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -76.63 -24.28 53.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 22' ' ' ALA . 12.3 p -64.22 -46.64 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -63.29 -45.28 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.525 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 14.6 m -58.24 -65.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -32.37 46.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -66.65 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.51 -61.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 23' ' ' SER . 1.1 pp -52.58 -21.06 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.41 -82.57 0.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -49.89 -34.05 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.6 t -83.84 -31.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 82.27 -65.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.93 155.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.54 4.03 20.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -65.87 127.93 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.625 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.0 t -79.88 -44.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.6 Cg_endo -74.94 -47.37 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.4 t -50.82 -61.22 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.58 -49.41 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.07 -33.4 51.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.71 -37.29 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -35.31 91.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -58.69 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.12 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.533 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 5.3 m-85 -60.3 -20.9 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.63 -67.59 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.8 m -64.57 -48.24 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -51.03 -42.31 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -61.48 -60.88 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.12 -73.17 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 11.1 mp -44.18 -59.42 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.466 ' HA2' ' CB ' ' A' ' 56' ' ' SER . . . -50.33 -48.09 41.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -56.02 -34.22 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.721 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-85 -155.22 83.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -179.07 -72.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.48 70.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -179.68 36.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.05 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -179.81 89.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLN . 1.7 m-20 61.78 130.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.16 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -41.43 -52.7 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 t -44.75 -52.1 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -52.52 -46.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 108.032 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 64' ' ' VAL . 14.9 t -55.96 -36.9 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -77.19 -23.53 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -47.61 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -71.93 -40.34 68.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.2 m -55.04 -68.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -64.58 -28.96 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.51 -50.62 52.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 m -76.87 -45.84 26.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -46.31 -48.66 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.68 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.73 -47.04 30.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 72' ' ' LEU . 4.9 tp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -63.1 -61.22 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.67 -65.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.86 -65.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.57 -51.15 10.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.04 -54.72 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -32.8 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -32.13 68.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -68.97 -49.72 55.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -46.13 89.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -57.96 -50.35 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.96 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -48.5 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.69 -53.69 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.55 -76.46 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 73.1 t -45.32 150.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.9 m -85.29 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.1 tpt 179.43 150.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.13 167.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 m 59.14 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -46.62 162.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -79.53 54.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.4 t 64.64 56.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 7' ' ' VAL . 7.9 m -154.51 132.77 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.6 mp -50.5 -59.21 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 13.5 m170 -39.27 -59.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 8.4 m95 -45.77 -51.52 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 5.2 t80 -47.86 -45.32 30.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.28 -34.47 89.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -74.96 -31.79 61.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.98 57.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.58 -43.43 72.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.1 78.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -75.18 -22.48 58.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.78 -53.7 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.5 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -56.09 18.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 27.6 m -47.73 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -57.43 -26.41 56.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.72 -68.18 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.439 HG23 HG21 ' A' ' 30' ' ' VAL . 73.3 mt -69.34 -53.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.543 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.7 mt -54.31 -23.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -80.06 0.79 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -39.25 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.4 t -84.1 -30.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 89.82 -53.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.54 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 -7.35 59.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 51.0 m -42.53 116.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.4 t -79.15 -46.63 1.66 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' SER . 1.7 t -51.82 -60.99 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -47.17 70.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -29.92 62.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.88 -34.05 65.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -59.24 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.42 -59.66 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.3 t80 -66.6 -24.14 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.59 -67.15 2.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -66.91 -48.35 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 4.5 tp -49.71 -38.69 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -71.32 -76.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.45 -63.06 2.57 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -54.62 -61.15 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -42.13 -73.13 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.04 -32.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' SER . 1.9 t80 -106.58 41.06 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' GLY . 6.2 tp60 -173.43 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD22 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER 179.7 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.0 37.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.26 83.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER 67.72 129.36 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.57 -55.26 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG11 HD22 ' A' ' 55' ' ' LEU . 2.5 t -45.29 -48.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.41 -47.12 69.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.24 -34.39 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -25.69 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -49.03 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.78 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -52.8 -67.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.473 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.63 -53.92 26.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -74.26 -49.82 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -42.38 -59.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.49 90.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.5 -30.86 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.251 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -73.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 93' ' ' ALA . 17.8 pt -64.11 -38.72 83.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 92' ' ' ILE . . . -58.32 -75.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.9 -47.5 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.77 -57.97 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.04 -31.53 63.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -34.69 77.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.95 -51.5 25.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.62 -46.48 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 96' ' ' SER . 85.7 t -61.72 -51.41 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.26 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -52.22 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.1 -44.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.58 -75.42 0.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.33 160.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -43.51 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.6 174.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.97 151.77 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -42.61 152.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.9 t -59.77 -32.31 70.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t 66.92 -71.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.72 HG23 HG22 ' A' ' 8' ' ' VAL . 15.6 m -95.88 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.974 HG12 ' CD2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER 41.45 91.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.26 3.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -46.48 -57.45 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LEU . 28.0 t60 -38.67 -65.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.974 ' CD2' HG12 ' A' ' 8' ' ' VAL . 2.2 t90 -46.46 -47.53 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.46 -46.35 37.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.64 71.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -73.97 -33.54 63.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 0.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -74.2 -48.4 15.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -49.67 73.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.99 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -51.68 -32.85 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 5.3 tt -68.92 -50.57 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 t -50.52 -58.29 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.77 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.5 m -49.12 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.98 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.41 -31.14 3.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -77.44 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.72 -52.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.542 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 14.7 mm -52.81 -24.14 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.22 -78.11 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.93 -40.09 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 45.6 t -83.56 -28.1 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.4 tttp 88.75 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.48 44.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.18 44.89 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.6 t -90.07 -138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.7 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.96 -47.51 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -60.4 -54.41 45.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -51.21 63.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.73 -29.56 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -73.28 -31.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.93 -34.87 58.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -59.58 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -57.83 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 26.9 t80 -63.99 -22.33 66.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.71 -62.46 5.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 58.1 m -62.76 -45.01 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -60.97 -28.23 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -74.72 -76.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -49.6 -50.21 31.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 46' ' ' SER . 6.5 tp -64.23 -61.51 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -39.85 -56.79 2.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.9 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.6 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 45.0 m-85 -104.85 52.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.552 ' N ' ' CE2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -178.12 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -179.62 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.74 42.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.2 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' VAL . 26.9 m-20 63.21 132.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -67.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -54.52 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 2.6 t -42.82 -50.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -49.76 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.4 -34.63 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -74.63 -33.35 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.79 -49.61 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.83 78.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 m -55.87 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.67 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.42 -58.43 8.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 m -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -45.39 -59.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.26 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.06 -39.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.319 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -66.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.59 -44.6 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.07 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.07 -49.38 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.9 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -27.85 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -38.52 74.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.654 HD12 ' HE3' ' A' ' 102' ' ' LYS . 1.2 mm? -71.29 -33.05 69.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -51.94 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 103' ' ' VAL . 33.8 m -69.29 -28.92 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.0 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.654 ' HE3' HD12 ' A' ' 98' ' ' LEU . 10.0 mttt -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 100' ' ' VAL . 8.3 p -56.94 -30.55 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.31 -40.94 91.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -164.96 133.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.93 101.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -40.76 -64.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . 8.3 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . 9.0 t -42.54 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' THR . 51.5 p -37.92 -40.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 60.65 145.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.6 t 64.23 -81.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 13.4 m -67.3 133.81 93.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 18.3 Cg_endo -75.06 166.76 28.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.79 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 5.2 p-80 -40.58 -53.85 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.461 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t-105 -47.29 -53.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -49.1 -41.08 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.45 91.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -68.5 -35.99 78.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -71.45 -40.13 60.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.42 1.075 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.74 -44.53 89.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.05 79.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -68.1 -52.62 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.79 -58.53 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.32 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -49.99 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -50.43 -26.78 10.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -72.78 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.92 ' O ' HG12 ' A' ' 30' ' ' VAL . 9.0 mt -71.43 -50.32 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.508 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.2 mm -53.29 -27.33 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.42 -72.86 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.15 -43.7 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 26' ' ' ILE . 2.9 p -83.52 -27.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.717 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.92 -63.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 161.69 151.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.52 5.28 8.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.501 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 m -64.8 129.33 39.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -80.28 -43.28 1.39 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.93 -42.37 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 6.7 t -56.83 -57.13 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -54.12 -50.74 66.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.79 57.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -69.26 -36.1 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.58 -32.96 79.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 25.0 m-85 -62.36 -18.53 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.16 -66.7 2.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -63.25 -44.2 95.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -56.59 -42.31 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -61.14 -58.58 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.18 -76.24 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.675 HD23 HD22 ' A' ' 55' ' ' LEU . 6.5 mp -44.28 -59.41 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.9 -67.28 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.588 1.18 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -48.23 -23.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 4.7 m-85 -95.7 30.15 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.491 ' C ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 51.08 88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.675 HD22 HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -145.81 -46.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.93 62.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.77 -73.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.799 ' O ' HG23 ' A' ' 62' ' ' VAL . 47.8 m-20 -133.16 155.63 80.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -53.62 -66.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.24 -51.24 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 58' ' ' ASP . 18.3 t -45.09 -49.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.08 -46.27 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 108.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.57 -32.54 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.0 t80 -79.58 -25.24 41.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.15 -49.99 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.15 69.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -72.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -66.69 -22.53 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.4 -52.46 47.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -80.98 -42.4 21.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.67 -58.02 5.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.11 -30.55 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.93 -43.84 17.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -73.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 93' ' ' ALA . 2.7 pp -65.54 -50.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.809 ' N ' HD12 ' A' ' 92' ' ' ILE . . . -54.21 -67.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.18 -46.13 15.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.42 -61.2 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -56.45 -28.33 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.74 -35.41 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.82 -57.48 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.03 -52.03 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.72 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.82 -40.13 75.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.61 -51.56 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.9 t -50.93 -39.72 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.78 -81.58 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.06 155.97 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -72.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 51.9 48.16 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.29 -68.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.5 m -52.5 153.01 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -73.7 91.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -88.99 -55.77 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -44.94 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.9 m -126.58 114.8 22.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.9 11.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -47.1 -60.38 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LEU . 9.1 t-160 -36.17 -53.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.65 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -52.31 -56.66 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -52.81 -28.08 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.57 -36.97 47.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.15 -28.82 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.32 -46.21 13.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.57 -44.49 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.07 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.89 -25.16 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 20' ' ' LEU . 2.3 tt -70.7 -49.9 42.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' N ' HD23 ' A' ' 20' ' ' LEU . 54.1 t -58.16 -57.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.59 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.0 m -53.08 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.39 -24.54 23.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -73.9 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.91 -49.37 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.8 mm -55.37 -25.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.53 -75.9 0.96 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.67 -41.12 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.0 t -83.91 -28.18 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.721 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 86.94 -64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.69 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.86 3.71 6.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.497 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.4 OUTLIER -60.43 132.41 53.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.647 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.63 -43.96 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 6.6 t -53.78 -58.07 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.93 -51.04 67.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.17 -31.72 53.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.68 -36.38 73.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.13 -32.68 76.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.99 -63.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.0 t80 -60.73 -22.97 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.06 -67.51 2.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 80.5 p -60.72 -51.98 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -49.17 -47.28 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -54.66 -65.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' ' CE1' ' A' ' 53' ' ' TYR . . . -61.62 -78.31 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 2.2 mp -39.05 -61.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.7 -48.11 29.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -57.02 -36.52 70.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 3.2 p90 -146.99 79.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 1.1 tm0? -176.69 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER 164.11 73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 52.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -171.27 -46.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 3.5 m-20 -167.62 148.28 4.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -83.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -61.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 27.7 m-80 -40.49 -60.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.3 t -44.74 -47.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -49.63 55.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.977 ' O ' HG23 ' A' ' 68' ' ' THR . 60.6 t -55.55 -39.08 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 6.3 m-85 -72.46 -25.32 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.96 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -47.82 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.977 HG23 ' O ' ' A' ' 64' ' ' VAL . 75.8 p -53.32 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -58.66 -41.18 85.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.54 -57.58 4.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.4 m -67.05 -42.38 84.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.76 -59.66 2.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.55 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -37.87 10.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -67.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 93' ' ' ALA . 4.3 tp -56.47 -52.3 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -51.25 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.9 -50.64 11.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.61 -55.77 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -30.68 60.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -33.79 67.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.78 -32.67 65.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -48.16 56.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.31 -47.05 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.39 69.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -49.55 -57.54 6.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.65 -43.87 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.33 -71.51 0.8 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.14 167.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 110.64 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.57 173.33 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 10.7 p90 -167.37 124.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.4 m 58.15 155.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -74.48 79.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -87.33 15.2 6.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -132.78 -46.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 9' ' ' PRO . 4.3 p -169.83 140.2 1.7 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 8' ' ' VAL . 18.4 Cg_endo -74.99 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.97 -74.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -33.15 -65.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 1.6 m95 -42.61 -55.0 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -41.14 -50.23 3.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.85 -44.58 94.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.1 m-85 -67.74 -30.78 70.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.48 -41.04 37.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.55 -53.55 50.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.17 98.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -66.29 -25.23 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.82 -53.93 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.16 -53.69 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.19 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.4 m -55.12 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.44 -19.83 20.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.52 -72.29 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -70.82 -41.55 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.509 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 56.0 mt -62.8 -26.43 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.19 -72.41 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -46.65 -42.67 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.6 t -83.92 -27.05 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.724 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.57 -51.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.25 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 -3.67 61.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 40.5 m -47.55 116.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.658 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -78.32 -43.48 2.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.479 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 2.8 t -57.47 -56.62 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.94 -50.26 64.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.11 -35.05 64.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.06 -32.02 69.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.7 64.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.38 -60.41 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.55 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.46 -22.73 66.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.13 -67.15 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.465 ' HB2' HD12 ' A' ' 50' ' ' LEU . 83.8 p -59.81 -42.38 93.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -56.86 -40.7 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.93 -69.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.94 -72.58 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 46' ' ' SER . 68.4 mt -45.45 -42.94 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.13 -68.21 1.12 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.81 -14.35 44.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 6.5 m-85 -111.39 32.11 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 45.6 tp60 86.51 84.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -179.96 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.8 t 92.82 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.45 -172.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -39.62 123.24 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.92 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -67.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -40.4 -66.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 58' ' ' ASP . 29.1 m -42.74 -44.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.66 31.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.43 -33.65 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.23 -28.93 57.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.414 HD13 ' HG2' ' A' ' 54' ' ' GLN . 4.9 tp -66.52 -45.38 79.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.61 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.4 m -51.23 -71.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.681 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 24.4 t -68.29 -20.74 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.71 -56.99 19.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 m -83.91 -47.33 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.651 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -49.6 -51.71 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -83.9 -31.13 25.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.16 -42.09 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 72' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 2.0 tt -70.21 -51.66 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 93' ' ' ALA . 1.4 tp -62.76 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.526 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -56.36 -67.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.87 -47.3 9.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.72 -56.23 9.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -30.56 65.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.54 -31.38 66.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.92 -46.04 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 mtp -58.8 -46.2 88.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.03 -56.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -73.21 -51.81 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.31 -40.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.29 -68.44 1.65 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 106' ' ' SER . 94.3 t -60.94 161.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 105' ' ' VAL . 1.0 OUTLIER -69.06 106.64 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.423 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 8.8 ttp -121.91 139.69 53.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.443 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 1.1 m-85 -44.36 -60.25 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 9.1 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 m -49.75 -66.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.47 177.2 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -178.67 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.64 -33.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.755 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 174.3 161.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.755 ' HD2' HG22 ' A' ' 8' ' ' VAL . 18.2 Cg_endo -74.97 172.91 15.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.4 tp -57.9 -72.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 10' ' ' LEU . 29.9 m170 -34.3 -65.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.403 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.86 -54.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 3.4 t80 -41.61 -50.25 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.54 -43.05 97.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 t80 -69.32 -27.95 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -75.86 -38.26 36.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -67.76 -52.86 32.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.509 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -63.96 -46.47 84.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -67.5 -22.86 65.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -68.71 -54.19 17.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.597 ' N ' HD23 ' A' ' 20' ' ' LEU . 6.2 p -59.24 -42.59 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 26' ' ' ILE . . . -63.64 -64.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.671 ' O ' HG22 ' A' ' 27' ' ' ILE . 3.3 t -47.15 -68.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 27' ' ' ILE . . . -50.55 -29.64 18.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -81.31 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -53.98 -49.16 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 23' ' ' SER . 2.8 tt -61.16 -25.03 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -70.26 -74.95 0.63 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.42 -46.25 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 42.9 t -75.0 -21.53 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.728 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 81.47 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.01 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.27 44.45 1.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.799 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.0 t -91.19 -142.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.91 -53.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.1 m -60.49 -54.93 39.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -52.82 -50.7 63.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.6 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.79 -33.28 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.26 89.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.85 -55.18 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.37 -65.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -18.61 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.83 -64.37 4.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -66.9 -33.11 74.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.88 -32.74 74.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.93 -57.59 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.9 -58.38 14.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 46' ' ' SER . 2.2 mt -62.32 -55.6 26.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -44.69 -65.53 1.73 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.642 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -56.13 -27.93 55.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 28.5 t80 -89.73 2.01 55.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.5 mt-30 -140.41 -76.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 51' ' ' GLY . 18.4 tp -178.11 131.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m 170.27 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.39 102.04 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.48 109.69 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.86 7.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -56.58 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -41.78 -54.04 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 52' ' ' ALA . 2.3 t -44.17 -51.08 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -51.86 -47.95 64.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.2 t -53.7 -38.07 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -75.2 -27.19 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.03 63.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.46 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -51.05 -72.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.84 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -66.1 -19.6 65.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.45 8.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 72' ' ' LEU . 9.0 t -81.33 -48.49 11.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' N ' HG23 ' A' ' 71' ' ' THR . 0.2 OUTLIER -51.0 -57.1 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -76.11 -32.21 59.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.98 -44.92 19.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.272 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.94 -70.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.865 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -67.97 -33.17 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.38 -72.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.46 -47.3 17.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.6 -54.07 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -60.43 -27.77 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.32 -27.11 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -46.09 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.852 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -64.8 -41.97 95.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 96' ' ' SER . 54.5 t -67.01 -51.07 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.07 -51.86 65.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 99' ' ' MET . 79.0 t -54.66 -39.62 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.12 -81.07 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.85 166.27 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.62 136.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.8 ttm -37.81 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 103' ' ' VAL . 8.7 p90 -173.06 102.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.584 HG22 ' H ' ' A' ' 5' ' ' SER . 49.8 m 51.51 176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 4' ' ' THR . 0.9 OUTLIER -39.23 113.64 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.7 t -37.25 -44.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.1 -45.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 9' ' ' PRO . 1.1 m -122.15 164.73 23.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -74.98 176.12 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -55.07 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -35.92 -65.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t-105 -43.66 -52.18 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.8 t80 -43.23 -49.91 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.75 -41.08 97.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 51.6 t80 -69.24 -31.62 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.54 -44.1 65.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -64.77 -52.2 58.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.24 99.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -69.3 -23.87 63.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.14 -50.26 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.1 -50.25 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 27' ' ' ILE . 4.2 m -58.83 -69.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.14 -22.61 36.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.02 -74.75 0.52 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.7 mp -59.89 -38.62 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.54 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 42.6 mt -68.55 -24.91 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.69 -70.16 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -41.83 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 26' ' ' ILE . 15.5 t -83.74 -18.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CA ' ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER 73.88 -63.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.1 -59.49 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . 146.79 -12.34 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER 89.99 148.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -78.57 -43.68 1.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.02 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.8 t -50.04 -62.33 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' HD23 ' A' ' 38' ' ' LEU . 8.3 tt -53.8 -42.8 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -52.5 -40.91 62.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.99 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.34 -39.5 94.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tp -66.75 -60.82 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -62.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.7 t80 -62.79 -20.84 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.49 -63.58 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.9 p -66.93 -44.95 79.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.413 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 2.4 tm? -56.02 -29.35 60.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -77.17 -70.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.96 -55.47 5.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . 8.8 mp -67.03 -44.38 80.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -44.61 -47.64 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.2 29.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.4 t80 -111.18 43.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -176.66 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.31 134.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t 167.08 -44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.85 103.5 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.676 ' O ' HG22 ' A' ' 62' ' ' VAL . 1.1 m-20 63.33 126.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.543 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.97 -20.48 16.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -65.47 -84.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -32.81 -66.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 58' ' ' ASP . 16.3 m -39.58 -55.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.497 ' N ' HG23 ' A' ' 62' ' ' VAL . 60.7 t90 -50.01 -50.65 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 22.0 t -51.4 -39.46 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.32 64.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.79 -48.03 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.78 78.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.6 m -53.84 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -63.99 -19.66 65.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.5 -56.1 26.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 m -79.81 -42.32 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -58.14 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.61 -28.8 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.1 -60.43 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.247 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -64.86 -49.28 71.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.73 -60.57 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.52 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.85 -49.97 8.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.64 -57.29 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 100' ' ' VAL . 3.0 t -54.24 -30.16 49.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -36.13 69.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.21 -62.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.1 mtt -50.41 -44.43 55.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 96' ' ' SER . 3.9 t -56.49 -54.87 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.94 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.0 -61.18 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.42 -26.02 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLY . . . . . 0.409 ' C ' HG23 ' A' ' 105' ' ' VAL . . . -63.96 -66.26 2.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 104' ' ' GLY . 96.7 t -152.15 85.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.93 154.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 146.22 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 109' ' ' ASN . 90.0 t80 -177.8 169.04 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.2 t-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' SER . 40.6 p 38.0 80.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 85.7 -47.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.6 -59.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.6 m -125.4 -45.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 7' ' ' VAL . 34.9 m -157.53 157.8 30.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -75.03 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.88 -65.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -39.15 -62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t90 -47.03 -48.14 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -47.23 -45.37 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.13 75.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -75.13 -38.82 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.77 -53.35 48.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.27 78.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -61.46 -26.62 68.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -70.79 -54.95 9.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -50.88 -57.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 26' ' ' ILE . . . -59.44 -43.93 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 4.1 t -52.72 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -52.34 -18.66 5.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.2 -75.38 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 22' ' ' ALA . 9.1 tt -73.53 -38.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.512 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 50.9 mt -63.93 -28.0 44.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -71.39 1.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -44.9 -44.91 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 38.5 t -84.08 -27.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.53 -50.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.88 -167.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.23 -7.64 81.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -52.74 121.01 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.608 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.5 t -82.19 -46.08 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 -56.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -41.15 -61.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.5 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.03 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.82 73.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -59.11 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -63.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.64 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 4.3 t80 -65.1 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.04 -69.81 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -63.73 -39.8 95.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.4 tp -61.22 -30.04 70.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -73.01 -64.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.58 6.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 38.3 mt -57.34 -46.73 83.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -53.3 -40.53 60.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.01 -26.37 61.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 65' ' ' PHE . 56.0 t80 -84.99 -60.14 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.677 ' HA ' HG23 ' A' ' 62' ' ' VAL . 7.4 mt-30 -84.47 8.22 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER 68.11 -59.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 87.91 19.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -149.54 -53.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.4 129.36 26.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.547 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -74.96 -22.63 14.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.31 -69.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' ARG . 24.2 m-80 -37.02 -62.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' A' ' 54' ' ' GLN . 3.6 p -43.43 -53.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -46.46 -49.64 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 60' ' ' ARG . 16.5 t -53.7 -44.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 3.4 m-85 -71.47 -24.16 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.75 -53.34 48.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.5 84.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -55.69 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.598 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.3 m -64.08 -17.25 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.4 -52.19 54.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 m -81.93 -45.3 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.411 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -54.72 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ILE . . . -47.84 -27.89 5.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.755 ' O ' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 3.6 tt -72.13 -60.74 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.2 tp -62.89 -34.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.88 -49.65 12.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.74 -55.08 15.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.8 m -56.41 -30.71 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.92 -52.74 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -59.52 -44.46 93.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 96' ' ' SER . 42.9 t -58.29 -56.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.23 -36.52 71.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -59.88 -52.74 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.504 HG22 ' CE1' ' A' ' 108' ' ' PHE . 70.5 t -56.94 -36.97 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.34 -78.68 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 -177.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m 61.05 148.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.39 149.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.504 ' CE1' HG22 ' A' ' 103' ' ' VAL . 6.3 t80 -157.18 149.14 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -43.37 164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 7' ' ' VAL . 55.9 p -38.33 -57.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 54.95 28.75 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 5' ' ' SER . 4.1 p -158.1 -49.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 7' ' ' VAL . 20.0 m -133.12 151.52 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.95 43.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -46.19 -57.19 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -40.28 -60.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -45.53 -49.83 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.07 -46.7 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -34.89 91.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.64 -33.92 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.51 46.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.54 -49.42 76.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.12 95.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -70.09 -23.09 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -71.17 -60.74 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 22' ' ' ALA . 10.5 p -53.39 -51.23 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -58.45 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.572 ' CA ' HD12 ' A' ' 27' ' ' ILE . 8.6 m -49.03 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.56 -24.74 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -71.34 0.78 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.707 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.8 mp -75.76 -48.14 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.572 HD12 ' CA ' ' A' ' 23' ' ' SER . 55.9 mt -54.54 -28.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.78 -64.48 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -40.8 -52.16 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 26' ' ' ILE . 9.7 p -84.14 -23.78 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 18.8 tttt 87.43 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.87 171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 -0.77 21.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.485 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.42 118.72 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.976 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.93 -44.71 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.03 -53.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -48.49 -56.34 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -54.89 -49.49 71.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.0 -33.64 57.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.3 -35.2 73.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.37 -32.61 75.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -60.26 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -63.17 -19.19 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.69 -68.77 1.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -41.17 98.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -59.4 -38.33 80.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -67.59 -53.59 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -58.93 -69.94 1.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -53.33 -59.17 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -46.28 -67.57 1.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -42.55 -32.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -69.99 85.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 27.9 mm-40 65.93 24.05 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.505 ' CA ' ' O ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 73.27 170.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -107.54 -15.82 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . 1.3 tt0 -100.39 -60.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' VAL . 31.1 t0 -39.62 113.61 0.88 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -70.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 2.8 m120 -43.15 -52.61 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' ASP . 2.5 t -44.98 -50.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -53.02 -47.18 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.46 -34.11 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.09 -26.61 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -58.14 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -32.42 73.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.16 -66.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -48.77 -44.24 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.2 7.71 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.8 m -61.89 -18.0 58.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -29.45 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.57 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.08 -54.59 2.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -71.69 -68.82 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 tp -63.85 -40.24 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.39 -69.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.39 21.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.13 -59.38 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.29 -29.86 35.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tp -72.98 -37.82 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.38 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 ttp -57.36 -43.73 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.3 t -59.51 -46.09 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 105' ' ' VAL . . . -67.54 -29.93 69.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 108' ' ' PHE . 6.0 ttmt -63.07 -46.04 89.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 100' ' ' VAL . 12.8 p -71.61 -31.27 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.25 -46.59 86.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.638 HG13 ' O ' ' A' ' 101' ' ' ALA . 13.2 m -71.35 -156.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' MET . 1.7 m -121.41 177.64 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 80.21 -72.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 67.5 m-85 -76.76 140.73 40.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 5' ' ' SER . 77.7 m 53.79 170.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 4' ' ' THR . 48.4 m -74.75 57.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -13.01 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 8' ' ' VAL . 27.4 m -112.15 -52.24 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' HD2' ' A' ' 9' ' ' PRO . 3.5 p -178.41 141.82 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.04 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 11' ' ' HIS . 1.7 tm? -65.52 -75.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.2 -62.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.597 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.492 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -44.5 -58.05 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 t80 -40.86 -45.31 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.68 93.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.422 1.076 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.29 -45.64 83.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -38.96 97.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.23 -56.45 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.07 74.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -71.31 -26.42 62.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.42 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 22' ' ' ALA . 32.7 m -51.55 -52.07 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' N ' HG23 ' A' ' 21' ' ' VAL . . . -60.44 -48.47 81.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.791 ' OG ' HD12 ' A' ' 27' ' ' ILE . 12.7 t -53.28 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -44.57 -27.2 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.45 -77.96 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mp -68.56 -46.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.791 HD12 ' OG ' ' A' ' 23' ' ' SER . 58.7 mt -55.42 -28.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.73 -75.06 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -45.49 -42.41 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.5 t -83.72 -28.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.0 tttt 84.7 -59.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.74 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.74 7.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.9 m -68.07 124.71 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.697 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 58.2 t -78.2 -40.64 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 14.3 m -55.34 -56.48 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.03 -49.58 71.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.4 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -71.03 -34.57 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.69 80.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.91 -58.58 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.99 -64.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 27.8 m-85 -65.08 -18.01 64.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.39 -71.0 0.87 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 p -64.89 -36.29 83.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 5.8 tt -59.68 -42.87 93.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -64.53 -54.87 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.45 -75.01 0.29 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -47.55 -57.79 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -47.04 -68.93 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -41.32 -30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 65' ' ' PHE . 4.4 m-85 -115.0 46.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.706 ' CD ' HG21 ' A' ' 62' ' ' VAL . 3.7 tt0 -173.91 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER 82.78 1.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 38.16 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . 3.1 mt-30 -154.46 -86.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.593 ' O ' HG12 ' A' ' 62' ' ' VAL . 2.5 t70 -52.28 115.44 6.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.539 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.99 -32.9 5.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' ASN . 25.6 ttm-85 -61.87 -68.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ARG . 4.5 m-80 -39.21 -67.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.706 HG21 ' CD ' ' A' ' 54' ' ' GLN . 3.7 p -40.36 -47.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -55.25 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 107.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.6 t -52.04 -37.89 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.51 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.7 OUTLIER -70.42 -32.99 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.402 ' O ' ' HA3' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.75 -27.39 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.01 -56.99 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 65' ' ' PHE . 1.7 t -50.26 -56.31 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 13.2 t -73.84 -24.0 59.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 66' ' ' LEU . . . -61.31 -41.58 99.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.1 p -85.3 -49.57 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -52.34 -45.1 65.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -85.02 -36.5 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.01 -46.96 20.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.344 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.55 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.3 -73.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.97 -46.45 9.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -29.27 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -68.24 -40.23 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.6 -45.01 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -54.54 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 97' ' ' LEU . 11.0 p -57.93 -44.04 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.3 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -55.45 -48.0 75.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.93 -44.03 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.45 -76.27 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.01 164.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.4 108.05 19.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.46 179.01 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -44.01 61.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.598 ' O ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 3' ' ' ASP . 13.6 t 45.97 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -98.42 131.51 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.7 59.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t 67.68 58.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.8 p -175.52 112.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 164.08 34.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.2 mp -49.08 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 5.1 m80 -38.33 -64.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.1 t-105 -44.63 -49.93 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.6 t80 -45.02 -48.85 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.92 -37.28 94.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 t80 -69.93 -32.08 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -46.67 39.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -62.09 -52.27 64.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.3 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -71.76 -23.77 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -55.21 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 22' ' ' ALA . 30.0 m -56.89 -48.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' VAL . . . -62.73 -59.76 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 43.8 m -45.93 -68.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -27.59 34.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -72.06 0.69 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 27' ' ' ILE . 3.0 tt -65.83 -50.33 71.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.801 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.517 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 28.8 mm -57.36 -22.84 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.46 -74.5 0.94 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.61 -39.79 51.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 70.6 t -83.46 -25.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.74 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.78 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.73 44.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.74 38.6 3.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.834 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -81.91 -147.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 177.64 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -62.72 -54.99 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.61 -53.25 49.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -29.08 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -73.41 -30.18 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.83 -34.05 53.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.13 -58.01 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -56.27 -56.98 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 29.7 t80 -63.4 -23.66 67.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.1 -58.67 10.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.447 ' HB2' HD12 ' A' ' 50' ' ' LEU . 89.3 p -62.72 -46.91 85.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.56 -40.05 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -66.84 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -46.51 -65.71 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' TYR . 14.8 mt -55.19 -61.37 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LEU . . . -39.95 -76.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.147 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -38.8 -38.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 3.1 t80 -105.09 63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER 159.26 -59.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CA ' HG11 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -166.53 -137.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 3.0 m 37.88 41.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' SER . 1.0 OUTLIER 160.52 83.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.792 ' O ' HG22 ' A' ' 62' ' ' VAL . 1.7 m-20 61.75 123.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -75.05 -34.41 3.8 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -68.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -39.52 -64.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 58' ' ' ASP . 15.3 m -43.56 -47.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 19.8 t90 -48.56 -52.01 24.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.0 t -54.62 -38.62 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.89 -24.76 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.1 -47.42 68.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.83 -35.74 67.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 43.6 m -57.49 -69.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -20.83 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.78 -59.38 10.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 m -81.1 -45.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' HG22 ' A' ' 75' ' ' ILE . 12.4 tp -44.16 -58.29 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -32.67 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.48 -37.44 12.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 72' ' ' LEU . 7.0 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -57.04 -66.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.44 -60.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.71 -61.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.38 -49.22 61.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.15 -57.22 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 100' ' ' VAL . 54.3 p -58.49 -31.8 68.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.83 -29.23 66.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.1 mm? -73.25 -56.41 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -43.61 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 96' ' ' SER . 61.3 t -63.39 -53.17 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.27 -42.26 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -60.12 -60.52 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.13 -27.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.7 -85.09 0.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.3 t -137.39 113.36 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.33 162.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 101.49 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.08 -48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 2.8 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 22.0 p -50.76 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.6 m -39.91 132.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.9 t -37.52 -66.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.73 -52.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -41.16 122.54 2.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.97 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.56 -54.69 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -61.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.615 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.454 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 6.8 m95 -47.73 -47.93 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -48.0 -44.36 30.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.77 70.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 t80 -73.78 -29.88 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -77.45 -43.25 16.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.28 -46.9 75.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.767 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.42 -49.59 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -63.23 -24.44 67.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 1.9 tp -72.05 -49.25 38.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.48 -56.89 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.74 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -51.74 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.81 -17.2 62.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.67 -70.88 0.92 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.951 ' O ' HG22 ' A' ' 30' ' ' VAL . 53.2 mt -69.43 -45.98 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 23' ' ' SER . 24.6 mt -59.88 -25.02 31.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.5 -68.36 1.54 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.18 -40.94 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 26' ' ' ILE . 4.7 m -84.02 -25.12 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.731 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 5.5 tttt 90.05 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.04 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -36.95 -38.61 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.852 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER 61.98 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.49 -56.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.95 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -62.23 -52.74 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -48.22 -54.2 14.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -50.74 -43.49 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -69.97 -31.32 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' SER . . . -64.21 -37.63 94.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -57.34 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 1.1 tp -47.89 -70.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -62.37 -22.38 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -52.99 -73.41 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -69.59 -42.9 73.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 0.774 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 47' ' ' LEU . 2.4 tt -49.56 -42.15 43.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -72.56 -72.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -40.57 -67.0 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' GLN . 3.0 mm? -60.05 -39.66 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -38.35 -59.55 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.83 -13.56 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 m-85 -118.35 49.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.7 tt0 179.11 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.99 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.29 41.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.05 84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.8 OUTLIER 63.97 130.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.51 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.85 -67.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -53.59 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 58' ' ' ASP . 40.8 t -44.84 -48.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -47.09 77.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.83 -31.81 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.606 ' CZ ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -79.75 -27.15 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -49.53 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.75 65.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -51.59 -70.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 11.1 t -67.58 -23.65 65.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.45 -58.52 10.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -81.96 -48.14 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.68 -56.86 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -79.25 -34.25 42.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.27 -38.72 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -72.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -44.47 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.26 -63.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.03 -48.85 51.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.55 -54.68 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 100' ' ' VAL . 81.2 p -60.31 -28.33 68.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.03 -27.17 60.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -46.84 29.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -45.66 91.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 96' ' ' SER . 53.5 t -64.46 -48.37 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.99 57.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -50.42 -57.5 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -43.4 -52.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.89 -81.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 106' ' ' SER . 0.9 OUTLIER -123.6 175.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.474 ' H ' HG22 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 74.45 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.57 141.52 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 20.2 p90 -169.99 121.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 5' ' ' SER . 2.3 m 50.1 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.524 ' H ' HG22 ' A' ' 4' ' ' THR . 2.3 m -109.93 64.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.1 36.51 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 7' ' ' VAL . 55.3 t 65.72 40.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 5' ' ' SER . 40.3 t -121.62 125.12 26.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.78 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 3.5 tt -47.38 -55.48 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -40.6 -60.7 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -46.12 -48.43 17.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 107.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -48.77 -46.05 40.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.25 76.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 t80 -71.66 -39.23 70.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -39.79 64.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.28 -55.49 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.01 98.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -66.26 -26.72 67.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.25 -50.0 44.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -57.91 -59.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -51.01 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.27 -20.57 22.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -69.06 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.57 -53.38 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.536 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.2 mt -55.36 -23.27 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.08 -79.43 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.7 -39.11 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 33' ' ' GLY . 18.9 t -83.64 -29.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.0 tttt 88.51 -51.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.51 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.525 ' H ' HG12 ' A' ' 30' ' ' VAL . . . -35.87 -58.23 0.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.849 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER 86.09 81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 171.94 -56.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tp -48.73 -56.94 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.12 -41.25 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.52 -35.95 75.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . -59.95 -36.7 91.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -57.42 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -50.76 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 57.8 m-85 -65.38 -19.93 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -58.18 -74.59 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.47 -34.7 74.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' LEU . 8.7 tt -57.72 -47.51 82.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.81 -69.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.12 -71.85 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.648 ' HG ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -47.43 -47.04 27.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -43.12 -72.88 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -49.73 -27.56 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -71.46 -43.19 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG3' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER 168.18 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD23 ' HG ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -39.82 -31.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER 163.33 114.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.678 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 169.32 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 62.96 146.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 18.2 Cg_endo -74.96 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -60.87 -59.68 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.989 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.8 m-20 -41.34 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 57' ' ' GLN . 28.5 m -39.76 -38.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.13 -59.18 4.87 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.989 HG22 ' O ' ' A' ' 61' ' ' ASN . 6.1 m -53.64 -26.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -80.32 -32.07 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.574 HD23 ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -65.94 -45.3 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.56 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -50.13 -69.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.553 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 60.6 p -68.79 -20.41 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.8 11.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.9 p -81.47 -44.26 17.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.53 -58.5 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -77.65 -31.33 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.95 -44.38 18.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -60.32 -70.06 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 93' ' ' ALA . 2.1 tp -71.17 -51.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -53.79 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.29 46.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.34 -55.78 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -27.93 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -27.64 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -44.52 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.755 ' O ' HG23 ' A' ' 103' ' ' VAL . 39.9 mtp -65.4 -40.22 93.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.27 -58.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.81 21.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -46.93 -60.72 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 99' ' ' MET . 55.8 t -43.7 -49.72 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.32 -72.06 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 106' ' ' SER . 79.6 t -49.86 -95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.514 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 174.58 92.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.72 145.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 t80 56.6 111.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.0 m 60.4 144.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -48.91 169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.9 p -69.87 69.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' VAL . 37.6 t 68.82 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' SER . 26.8 m -39.56 121.98 1.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.7 mm? -54.1 -54.42 39.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.39 -65.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.634 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -46.13 -48.24 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -46.74 -47.41 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.63 89.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.8 m-85 -73.2 -29.53 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' O ' HD13 ' A' ' 20' ' ' LEU . . . -73.1 -49.24 16.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -64.23 -49.11 73.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.36 99.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -70.28 -22.74 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 16' ' ' GLY . 1.3 mp -70.68 -49.54 46.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.02 -52.44 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 -57.51 12.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 27' ' ' ILE . 33.8 m -45.16 -71.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -49.01 -29.63 8.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -75.35 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.2 mt -58.91 -55.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -54.78 -24.21 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.53 -80.64 0.66 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -46.49 -39.04 10.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 15.4 t -82.73 -31.66 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 2.1 tttp 87.36 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.22 139.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 -3.02 5.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -62.77 122.41 15.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.898 HG22 ' HD3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -76.49 -34.18 1.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.898 ' HD3' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.2 m -56.45 -57.87 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -50.0 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.84 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.89 -34.12 71.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -36.24 77.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -61.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.3 mp -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -57.67 -24.66 57.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.92 3.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 20.0 p -67.6 -21.11 65.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.484 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -60.65 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.657 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -64.95 -53.91 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.09 -75.11 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -53.35 -61.4 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -42.65 -72.64 0.28 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 48' ' ' ALA . . . -49.09 -26.95 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t80 -105.24 27.8 7.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 tt0 -157.55 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HG ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 171.13 73.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.69 30.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.9 tt0 -176.88 97.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 57' ' ' GLN . 51.8 m-20 61.49 130.06 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -63.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -56.43 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 57' ' ' GLN . 2.2 t -45.62 -47.35 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.81 -48.28 67.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.07 -35.03 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -26.34 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -47.03 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 71' ' ' THR . . . -67.64 -44.65 77.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 m -53.35 -63.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -60.78 -29.24 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.95 20.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 67' ' ' ALA . 20.7 p -69.01 -49.32 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.87 -41.33 32.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.46 66.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -33.89 30.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 75' ' ' ILE . 32.9 mm . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -67.71 -46.06 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.537 HG23 ' N ' ' A' ' 93' ' ' ALA . 2.5 tt -62.42 -56.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.537 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -50.54 -71.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.92 -47.28 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -59.07 3.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -28.01 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -71.25 -33.25 69.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.16 -54.31 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.827 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -52.53 -43.98 65.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.94 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.83 -50.75 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.03 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' VAL . 6.6 mttt -56.28 -58.78 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 99' ' ' MET . 70.9 t -39.72 -64.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.33 -58.77 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 106' ' ' SER . 9.8 p -170.11 168.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 105' ' ' VAL . 0.2 OUTLIER 84.98 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.3 174.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -138.36 156.69 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 4' ' ' THR . 10.6 t -65.29 84.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p 49.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -60.5 -17.85 47.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.3 t -138.75 130.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 77.39 135.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.02 163.17 35.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -48.12 -55.37 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 38.2 m-70 -38.39 -62.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -45.88 -50.22 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.8 t80 -45.71 -46.83 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.52 94.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 20.9 t80 -69.41 -29.93 67.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.47 -39.18 36.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.0 t80 -66.62 -50.92 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.45 88.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 15' ' ' PHE . . . -59.84 -43.1 94.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.08 89.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 17' ' ' TYR . 84.0 t -50.7 -66.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.43 -48.01 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.52 ' CB ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -48.31 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -46.2 -22.3 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -77.62 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 mm -73.62 -39.8 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' A' ' 23' ' ' SER . 59.9 mt -61.15 -31.76 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -73.91 -58.4 4.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.32 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 28.0 t -84.23 -17.85 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 90.27 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.07 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.78 45.54 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.761 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.2 t -91.9 -143.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.0 -53.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -75.0 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 33.6 t -59.95 -55.54 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -50.81 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.62 -34.27 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -67.95 -36.33 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -34.28 81.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -59.47 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -66.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.685 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 34.6 m-85 -59.11 -18.9 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.92 -63.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -38.78 87.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' HD23 ' A' ' 47' ' ' LEU . 3.8 tt -71.01 -22.17 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -79.38 -51.0 9.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -64.16 -49.73 64.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -71.26 -53.49 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -54.24 -44.11 75.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 48' ' ' ALA . . . -75.32 -23.37 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -49.08 -46.65 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' CB ' ' A' ' 61' ' ' ASN . 7.4 mm-40 -158.93 34.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER 67.29 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.49 1.83 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.82 -57.47 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.719 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.2 t70 -66.21 122.5 81.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.518 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 7.4 m-80 -43.26 -51.03 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 58' ' ' ASP . 52.6 t -45.06 -50.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -46.36 71.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 68' ' ' THR . 30.3 t -58.1 -32.31 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -75.28 -27.48 59.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.38 -55.4 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 1.8 m -59.8 -67.77 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -53.7 -34.83 60.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.81 -61.79 7.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.5 m -62.67 -48.21 80.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 tp -42.1 -52.54 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' THR . . . -57.29 -60.77 8.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.361 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 5.1 mp -60.52 -33.25 72.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mm -62.36 -58.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.45 -66.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.81 -48.19 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.28 -63.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -54.01 -27.75 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -69.87 -39.34 76.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -49.56 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mtt -52.7 -54.43 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 97' ' ' LEU . 10.6 p -59.92 -42.1 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.36 81.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.68 78.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.35 -38.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.88 -61.93 4.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.7 p -173.91 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.48 86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.964 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.15 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 7.1 p90 -178.22 105.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.1 t30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' THR . 7.6 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASP . 38.5 m 53.56 169.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.779 ' O ' HG22 ' A' ' 8' ' ' VAL . 49.2 m -100.59 49.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t 66.64 -73.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' SER . 12.4 p -168.39 42.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 5' ' ' SER . 17.2 m -136.14 132.29 19.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.04 157.5 42.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.9 tt -46.43 -54.43 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -40.89 -59.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -46.12 -48.96 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 108.013 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.5 t80 -49.37 -45.57 46.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -33.18 86.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -69.15 -37.39 78.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.87 -41.49 72.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -53.3 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.51 78.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.56 -27.16 62.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.1 -58.9 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 22' ' ' ALA . 7.1 p -54.02 -53.35 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -55.99 -48.28 76.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -50.72 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.05 -23.43 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -75.17 0.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 30' ' ' VAL . 6.7 pt -73.67 -41.46 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.485 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 34.1 mm -60.16 -29.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.17 -64.6 2.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.11 -49.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 26' ' ' ILE . 2.2 m -83.64 -23.06 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.73 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 87.14 -59.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.17 140.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.87 -3.82 4.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -53.4 131.96 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -79.47 -43.41 1.62 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 13.0 m -51.67 -57.64 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -49.07 73.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.49 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -71.74 -33.37 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.2 -34.7 81.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -59.2 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -49.47 -61.43 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.86 -17.62 64.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -67.73 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 23.4 m -69.49 -33.2 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.3 tm? -62.35 -42.99 99.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.92 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.43 -70.71 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 46' ' ' SER . 7.1 tp -46.35 -49.75 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -50.33 -64.2 3.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.6 -18.27 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.02 -69.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.912 ' HA ' HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -90.25 23.32 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER 27.98 85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -76.18 54.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -156.34 -46.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.748 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -126.38 136.83 29.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.593 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.98 -29.5 8.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.8 mtt180 -63.45 -69.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 76.5 m-20 -39.6 -66.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.912 HG23 ' HA ' ' A' ' 54' ' ' GLN . 2.4 p -40.24 -47.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -55.86 9.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.044 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.6 t -52.93 -37.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.55 67.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -46.68 83.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.11 82.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -58.92 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.89 -54.55 37.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 m -78.62 -41.36 31.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.07 -59.61 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.76 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.45 -57.64 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 0.0 109.267 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.627 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -71.94 -36.86 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.58 -69.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.65 -60.66 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.12 -50.49 9.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.42 -63.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -52.23 -27.78 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -40.43 64.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.838 HD23 ' NZ ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -69.21 -37.91 78.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -53.13 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 96' ' ' SER . 33.3 m -61.99 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -60.84 -31.9 71.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.838 ' NZ ' HD23 ' A' ' 98' ' ' LEU . 11.4 mttt -67.35 -45.47 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.44 -36.92 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.1 -78.75 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 106' ' ' SER . 95.9 t -86.83 166.76 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' SER . . . . . 0.532 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 63.4 166.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -95.66 -25.44 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.426 ' N ' ' HG2' ' A' ' 107' ' ' MET . 33.8 t80 55.89 170.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.1 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 5' ' ' SER . 0.6 OUTLIER 52.24 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.62 ' N ' HG23 ' A' ' 4' ' ' THR . 11.4 m -38.89 121.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.883 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.7 t -70.01 59.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.759 HG22 ' O ' ' A' ' 6' ' ' SER . 5.9 m 50.86 23.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 6' ' ' SER . 2.4 p 177.66 102.53 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.05 172.73 15.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -53.52 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' LEU . 64.9 m80 -30.32 -65.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.494 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -41.41 -59.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t80 -39.26 -49.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -47.29 89.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 m-85 -67.9 -29.12 68.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -49.85 28.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -60.77 -46.45 90.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.01 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.36 -31.91 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -52.07 28.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.23 -59.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.97 -51.87 68.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.493 ' OG ' HD12 ' A' ' 27' ' ' ILE . 10.1 t -49.57 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.43 -26.41 1.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.51 -79.57 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 mm -69.61 -46.5 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.555 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.3 mt -55.17 -26.98 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.17 -75.28 1.02 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -42.54 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.0 t -84.02 -27.3 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.741 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 18.1 tttt 88.01 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 157.15 62.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.48 44.95 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' VAL . 88.7 p -91.29 -123.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 164.09 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.06 -46.67 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 36.8 t -59.43 -56.44 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -50.11 66.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.7 64.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -72.86 -32.37 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.48 -32.84 61.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -59.57 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 4.5 t80 -64.01 -21.13 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.06 -60.65 8.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -46.49 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.757 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 6.2 tp -56.47 -31.46 64.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -70.46 -59.95 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -60.6 -60.91 7.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 54' ' ' GLN . 2.6 mp -57.64 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.37 -47.33 16.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -54.71 -42.79 71.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 13.4 p90 -150.29 85.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 179.18 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.72 -77.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.33 168.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 73.31 -177.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.49 131.72 1.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -69.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.89 -57.85 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 54' ' ' GLN . 2.1 t -44.69 -46.73 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.35 67.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.72 -32.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -27.3 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.11 -47.5 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.64 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -51.87 -69.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' SER . . . . . 0.537 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 3.7 t -67.72 -21.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.69 -57.17 18.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 m -83.12 -44.84 14.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.8 tp -49.92 -51.76 38.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -84.53 -29.58 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.9 -52.04 12.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -71.83 -61.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -63.17 -52.15 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -60.67 -66.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.05 -51.45 8.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.41 -56.53 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' SER . . . . . 0.476 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -53.74 -35.03 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.4 tt -72.4 -31.94 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.41 -30.92 62.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.572 ' O ' HG23 ' A' ' 103' ' ' VAL . 12.4 mtt -71.2 -48.47 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 96' ' ' SER . 9.9 p -73.35 -32.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 105' ' ' VAL . . . -70.39 -44.77 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -61.5 -49.74 75.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 99' ' ' MET . 56.1 t -54.41 -47.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.43 -33.18 84.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 101' ' ' ALA . 42.9 t -96.98 46.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 58.09 -95.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 mmt 40.01 83.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.35 124.44 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.481 0.181 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -139.27 140.4 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' THR . 61.8 m-20 -108.06 159.13 16.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' ASP . 43.5 m -38.82 -65.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 15.6 p -153.62 111.58 3.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 66.8 m -38.13 -55.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -138.11 -53.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 5' ' ' SER . 42.6 t -40.59 105.29 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.16 16.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.8 mt -57.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t-80 -38.61 -63.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -48.98 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.3 t80 -46.43 -45.63 18.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -36.04 90.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.2 m-85 -69.31 -35.15 75.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.764 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.16 -41.97 52.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -53.45 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.49 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' PHE . . . -67.0 -30.11 70.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -44.42 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.3 -55.07 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -52.68 58.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.662 ' O ' HG22 ' A' ' 27' ' ' ILE . 27.9 t -45.8 -71.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 27' ' ' ILE . . . -53.42 -30.92 42.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.77 -77.93 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 26' ' ' ILE . 26.8 mm -61.92 -56.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -49.99 -25.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.27 -79.34 0.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -45.13 -42.62 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 89.5 t -80.17 -31.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.676 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 2.3 ttmm 87.46 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 164.36 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.49 -15.4 56.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -41.96 105.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -77.77 -48.75 2.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -56.66 -58.93 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -53.25 -49.75 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.03 63.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.38 -33.55 71.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.43 -33.8 68.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -57.18 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.649 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.2 t80 -63.11 -19.15 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.62 -64.54 3.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -63.56 -43.24 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.2 mp -60.58 -32.38 71.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -67.64 -58.5 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.41 -63.26 5.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 9.8 mp -54.73 -61.3 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.38 -46.12 22.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -57.01 -39.67 75.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 2.6 p90 -149.7 79.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . 56.9 tp60 -172.74 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tp -176.36 100.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t 179.55 -47.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 62' ' ' VAL . 7.9 tp60 -112.95 106.3 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.749 ' O ' HG22 ' A' ' 62' ' ' VAL . 73.0 m-20 62.18 126.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -32.3 5.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -67.69 -70.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' ARG . 3.6 m120 -38.62 -63.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.749 HG22 ' O ' ' A' ' 58' ' ' ASP . 21.1 m -45.04 -49.16 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.424 ' N ' HG23 ' A' ' 62' ' ' VAL . 17.2 t90 -52.74 -47.28 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' ARG . 24.2 t -56.03 -35.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -76.3 -25.53 54.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -47.67 63.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.86 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.5 m -56.01 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -68.3 -22.15 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.68 -51.22 60.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -80.01 -48.83 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.18 -56.11 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -75.27 -32.43 61.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.28 -46.1 21.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.42 -40.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -172.78 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.68 174.46 18.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.51 -66.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -170.73 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 46.8 t80 47.47 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -134.84 148.92 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.2 p-80 -40.38 153.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 5.1 p 165.66 57.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.73 88.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' C ' ' CG ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -179.02 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.542 ' CG ' ' C ' ' A' ' 85' ' ' LYS . 14.4 p90 39.91 31.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -77.78 -51.55 1.77 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -74.94 -85.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 -62.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.03 99.7 2.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 4.3 tt -69.14 -69.5 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.92 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.49 -72.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.85 -52.52 9.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -54.03 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -54.61 -35.48 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.9 -32.15 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -55.17 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.58 -43.18 75.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 96' ' ' SER . 35.6 t -58.84 -54.2 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.47 70.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -60.1 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 100' ' ' VAL . 12.5 p -59.99 -23.02 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.02 -78.11 0.46 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 105' ' ' VAL . 15.8 m -139.88 91.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.9 140.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.3 mtt -58.12 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -147.02 150.12 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -149.11 119.98 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 155.18 0.5 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 87.7 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.455 0.169 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.55 174.61 0.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.8 p -39.17 147.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -61.25 82.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 73.2 p -59.99 -45.13 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.96 -74.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -51.63 113.35 3.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 153.54 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.5 -57.25 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.5 t60 -39.47 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.412 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 5.4 m95 -45.11 -50.32 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -46.93 -47.3 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.45 89.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.5 m-85 -70.66 -35.59 72.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -69.16 -46.99 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -61.69 -51.21 69.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.29 80.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -60.28 -27.54 67.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -69.47 -56.23 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -50.21 -58.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.01 82.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.6 m -50.22 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.061 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.64 -18.64 11.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.88 -75.28 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.58 -37.26 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.9 mm -66.69 -27.27 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -68.98 1.45 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -48.93 -43.7 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.87 -21.79 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.5 ttmt 80.7 -56.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 162.18 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.04 -10.56 60.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -45.19 120.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -80.94 -48.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.09 -53.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -44.5 -64.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.12 -46.85 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -51.32 -36.54 43.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.12 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.08 88.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.424 1.077 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.55 -62.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 6.9 t80 -62.48 -25.04 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.3 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.505 ' HB2' HD13 ' A' ' 50' ' ' LEU . 71.3 p -65.16 -53.83 39.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -46.28 -32.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -72.99 -71.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -61.42 5.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 46' ' ' SER . 0.4 OUTLIER -55.9 -46.48 78.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.64 -52.91 18.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.25 61.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -78.83 -58.05 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 174.77 150.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.6 m 157.62 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 118.63 8.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 62' ' ' VAL . 89.5 m-20 60.73 112.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.18 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -43.07 -54.64 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 58' ' ' ASP . 3.2 t -44.38 -49.09 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.33 -48.38 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.65 -34.61 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -28.22 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -49.72 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.75 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 m -45.42 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.91 -26.58 68.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.29 19.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -38.45 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -35.38 62.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . . . -82.21 -47.57 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -32.17 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.402 ' HA ' HD13 ' A' ' 75' ' ' ILE . 24.8 mm -70.1 -54.41 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ALA . 23.6 ptp -147.32 164.11 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -102.58 -137.84 9.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.15 139.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.3 t80 60.77 110.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -146.42 51.27 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 m170 64.41 90.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.576 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.7 t 175.35 48.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.84 64.8 0.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.91 54.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.02 -173.29 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.63 172.83 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.24 4.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.18 44.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 140.31 14.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.59 -38.57 72.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -63.65 -55.28 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -49.66 -69.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.13 -49.88 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.48 -57.33 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -54.76 -31.77 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.56 -35.04 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -45.76 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -58.6 -44.82 89.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 96' ' ' SER . 53.7 t -62.65 -51.37 72.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 -25.91 65.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -76.51 -43.35 39.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 99' ' ' MET . 84.3 t -61.62 -35.63 68.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.35 -68.79 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 106' ' ' SER . 0.3 OUTLIER -57.42 -179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.483 ' N ' HG13 ' A' ' 105' ' ' VAL . 0.6 OUTLIER -90.77 102.04 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 177.43 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -121.81 140.8 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -117.52 -39.03 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.09 118.85 8.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.62 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.52 0.2 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' ASP . 92.6 mt-30 -128.61 -72.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 74.77 137.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' ASP . 89.3 m 56.71 160.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -49.31 125.02 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.9 m -60.34 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' VAL . 28.1 t 69.85 -60.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' VAL . 24.7 t -38.82 107.81 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.418 1.746 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.8 mm? -63.32 -67.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LEU . 47.7 m80 -38.46 -63.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -43.94 -50.6 8.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.943 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -46.02 -48.95 16.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.96 92.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.0 m-85 -71.13 -34.54 71.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.8 -46.15 61.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -63.35 -52.97 59.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.46 72.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -76.63 -24.28 53.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 22' ' ' ALA . 12.3 p -64.22 -46.64 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -63.29 -45.28 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.525 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 14.6 m -58.24 -65.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -32.37 46.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -66.65 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.51 -61.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 23' ' ' SER . 1.1 pp -52.58 -21.06 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.41 -82.57 0.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -49.89 -34.05 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.6 t -83.84 -31.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 82.27 -65.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.93 155.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.54 4.03 20.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -65.87 127.93 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.625 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.0 t -79.88 -44.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.6 Cg_endo -74.94 -47.37 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.4 t -50.82 -61.22 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.58 -49.41 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.07 -33.4 51.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.71 -37.29 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -35.31 91.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -58.69 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.12 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.533 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 5.3 m-85 -60.3 -20.9 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.63 -67.59 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.8 m -64.57 -48.24 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -51.03 -42.31 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -61.48 -60.88 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.12 -73.17 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 11.1 mp -44.18 -59.42 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.466 ' HA2' ' CB ' ' A' ' 56' ' ' SER . . . -50.33 -48.09 41.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -56.02 -34.22 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.721 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-85 -155.22 83.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -179.07 -72.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.48 70.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -179.68 36.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.05 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -179.81 89.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLN . 1.7 m-20 61.78 130.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.16 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -41.43 -52.7 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 t -44.75 -52.1 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -52.52 -46.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 108.032 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 64' ' ' VAL . 14.9 t -55.96 -36.9 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -77.19 -23.53 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -47.61 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -71.93 -40.34 68.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.2 m -55.04 -68.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -64.58 -28.96 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.51 -50.62 52.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 m -76.87 -45.84 26.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -46.31 -48.66 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.68 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.73 -47.04 30.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 72' ' ' LEU . 4.9 tp -48.63 -37.75 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER 166.55 177.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' HA2' ' CZ ' ' A' ' 80' ' ' PHE . . . 68.9 117.09 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.127 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.9 ttm -106.39 -29.7 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -112.25 -68.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CZ ' ' HA2' ' A' ' 77' ' ' GLY . 13.9 p90 -62.89 156.63 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -146.84 -172.85 4.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -41.98 144.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.613 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 6.5 p 169.09 46.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.68 89.3 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 39.98 64.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 83' ' ' SER . 1.4 p90 -136.05 164.91 26.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.545 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER 70.31 151.58 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.71 -62.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.65 91.11 2.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -63.1 -61.22 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.67 -65.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.86 -65.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.57 -51.15 10.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.04 -54.72 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -32.8 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -32.13 68.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -68.97 -49.72 55.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -46.13 89.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -57.96 -50.35 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.96 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -48.5 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.69 -53.69 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.55 -76.46 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 73.1 t -45.32 150.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.9 m -85.29 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.1 tpt 179.43 150.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.13 167.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -154.59 148.34 25.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 137.55 61.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.3 t60 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.57 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.44 118.76 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 m 59.14 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -46.62 162.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 88' ' ' PRO . 24.2 m -79.53 54.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.4 t 64.64 56.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 7' ' ' VAL . 7.9 m -154.51 132.77 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.6 mp -50.5 -59.21 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 13.5 m170 -39.27 -59.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 8.4 m95 -45.77 -51.52 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 5.2 t80 -47.86 -45.32 30.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.28 -34.47 89.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -74.96 -31.79 61.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.98 57.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.58 -43.43 72.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.1 78.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -75.18 -22.48 58.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.78 -53.7 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.5 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -56.09 18.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 27.6 m -47.73 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -57.43 -26.41 56.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.72 -68.18 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG23 HG21 ' A' ' 30' ' ' VAL . 73.3 mt -69.34 -53.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.543 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.7 mt -54.31 -23.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -80.06 0.79 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -39.25 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.4 t -84.1 -30.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 89.82 -53.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.54 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 -7.35 59.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 51.0 m -42.53 116.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.4 t -79.15 -46.63 1.66 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' SER . 1.7 t -51.82 -60.99 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -47.17 70.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -29.92 62.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.88 -34.05 65.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -59.24 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.42 -59.66 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.3 t80 -66.6 -24.14 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.59 -67.15 2.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -66.91 -48.35 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 4.5 tp -49.71 -38.69 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -71.32 -76.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.45 -63.06 2.57 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -54.62 -61.15 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -42.13 -73.13 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.04 -32.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' SER . 1.9 t80 -106.58 41.06 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' GLY . 6.2 tp60 -173.43 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD22 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER 179.7 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.0 37.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.26 83.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER 67.72 129.36 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.57 -55.26 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG11 HD22 ' A' ' 55' ' ' LEU . 2.5 t -45.29 -48.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.41 -47.12 69.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.24 -34.39 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -25.69 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -49.03 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.78 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -52.8 -67.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.473 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.63 -53.92 26.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -74.26 -49.82 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -42.38 -59.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.49 90.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.5 -30.86 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.52 -50.98 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 158.79 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -77.22 -151.31 4.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.56 62.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.71 48.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -166.38 50.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.91 123.66 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -69.89 -47.04 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 m 56.45 55.3 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.55 -138.31 0.59 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.573 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -179.7 59.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 85' ' ' LYS . 14.1 p90 40.64 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.482 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 167.69 -53.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.95 -31.68 6.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.787 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -170.76 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.89 88.93 1.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -73.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 93' ' ' ALA . 17.8 pt -64.11 -38.72 83.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 92' ' ' ILE . . . -58.32 -75.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.9 -47.5 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.77 -57.97 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.04 -31.53 63.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -34.69 77.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.95 -51.5 25.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.62 -46.48 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 96' ' ' SER . 85.7 t -61.72 -51.41 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.26 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -52.22 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.1 -44.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.58 -75.42 0.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.33 160.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -43.51 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.6 174.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.97 151.77 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.419 ' C ' ' HD2' ' A' ' 111' ' ' PRO . 7.4 t-20 -87.35 46.36 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 3.5 ttp85 -41.15 -50.2 8.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 110' ' ' ARG . 18.3 Cg_endo -74.96 66.46 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.463 0.173 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -149.99 -64.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.13 148.65 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -42.61 152.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.9 t -59.77 -32.31 70.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t 66.92 -71.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.72 HG23 HG22 ' A' ' 8' ' ' VAL . 15.6 m -95.88 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.974 HG12 ' CD2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER 41.45 91.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.26 3.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -46.48 -57.45 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LEU . 28.0 t60 -38.67 -65.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.974 ' CD2' HG12 ' A' ' 8' ' ' VAL . 2.2 t90 -46.46 -47.53 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.46 -46.35 37.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.64 71.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -73.97 -33.54 63.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 0.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -74.2 -48.4 15.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -49.67 73.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.99 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -51.68 -32.85 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 5.3 tt -68.92 -50.57 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 t -50.52 -58.29 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.77 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.5 m -49.12 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.98 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.41 -31.14 3.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -77.44 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.72 -52.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.542 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 14.7 mm -52.81 -24.14 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.22 -78.11 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.93 -40.09 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 45.6 t -83.56 -28.1 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.4 tttp 88.75 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.48 44.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.18 44.89 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.6 t -90.07 -138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.7 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.96 -47.51 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -60.4 -54.41 45.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -51.21 63.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.73 -29.56 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -73.28 -31.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.93 -34.87 58.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -59.58 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -57.83 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 26.9 t80 -63.99 -22.33 66.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.71 -62.46 5.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 58.1 m -62.76 -45.01 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -60.97 -28.23 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -74.72 -76.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -49.6 -50.21 31.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 46' ' ' SER . 6.5 tp -64.23 -61.51 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -39.85 -56.79 2.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.9 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.6 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 45.0 m-85 -104.85 52.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.552 ' N ' ' CE2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -178.12 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -179.62 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.74 42.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.2 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' VAL . 26.9 m-20 63.21 132.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -67.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -54.52 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 2.6 t -42.82 -50.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -49.76 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.4 -34.63 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -74.63 -33.35 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.79 -49.61 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.83 78.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 m -55.87 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.67 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.42 -58.43 8.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 m -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -45.39 -59.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.26 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.06 -39.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.78 -61.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.9 178.74 8.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' MET . . . -168.3 -163.16 21.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER 78.75 -60.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.83 135.72 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.89 159.19 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.61 -50.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -51.87 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.551 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.54 75.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 179.49 36.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 88' ' ' PRO . 6.8 mttt -114.45 -45.71 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 67.36 -63.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.48 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 1.5 mtp -38.18 -52.63 3.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.99 -86.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.78 167.38 12.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -129.04 53.48 0.8 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -66.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.59 -44.6 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.07 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.07 -49.38 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.9 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -27.85 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -38.52 74.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.654 HD12 ' HE3' ' A' ' 102' ' ' LYS . 1.2 mm? -71.29 -33.05 69.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -51.94 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 103' ' ' VAL . 33.8 m -69.29 -28.92 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.0 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.654 ' HE3' HD12 ' A' ' 98' ' ' LEU . 10.0 mttt -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 100' ' ' VAL . 8.3 p -56.94 -30.55 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.31 -40.94 91.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -164.96 133.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.93 101.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -40.76 -64.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 166.59 165.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.85 157.79 33.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.43 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 10.2 p80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.06 158.35 7.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . 8.3 m-20 -70.56 167.78 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . 9.0 t -42.54 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' THR . 51.5 p -37.92 -40.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 60.65 145.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.6 t 64.23 -81.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 13.4 m -67.3 133.81 93.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 18.3 Cg_endo -75.06 166.76 28.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.79 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 5.2 p-80 -40.58 -53.85 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.461 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t-105 -47.29 -53.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -49.1 -41.08 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.45 91.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -68.5 -35.99 78.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -71.45 -40.13 60.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.42 1.075 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.74 -44.53 89.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.05 79.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -68.1 -52.62 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.79 -58.53 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.32 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -49.99 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -50.43 -26.78 10.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -72.78 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.92 ' O ' HG12 ' A' ' 30' ' ' VAL . 9.0 mt -71.43 -50.32 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.508 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.2 mm -53.29 -27.33 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.42 -72.86 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.15 -43.7 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 26' ' ' ILE . 2.9 p -83.52 -27.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.717 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.92 -63.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 161.69 151.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.52 5.28 8.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.501 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 m -64.8 129.33 39.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -80.28 -43.28 1.39 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.93 -42.37 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 6.7 t -56.83 -57.13 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -54.12 -50.74 66.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.79 57.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -69.26 -36.1 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.58 -32.96 79.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 25.0 m-85 -62.36 -18.53 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.16 -66.7 2.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -63.25 -44.2 95.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -56.59 -42.31 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -61.14 -58.58 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.18 -76.24 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.675 HD23 HD22 ' A' ' 55' ' ' LEU . 6.5 mp -44.28 -59.41 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.9 -67.28 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.588 1.18 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -48.23 -23.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 4.7 m-85 -95.7 30.15 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' C ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 51.08 88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.675 HD22 HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -145.81 -46.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.93 62.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.77 -73.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.799 ' O ' HG23 ' A' ' 62' ' ' VAL . 47.8 m-20 -133.16 155.63 80.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -53.62 -66.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.24 -51.24 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 58' ' ' ASP . 18.3 t -45.09 -49.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.08 -46.27 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 108.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.57 -32.54 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.0 t80 -79.58 -25.24 41.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.15 -49.99 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.15 69.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -72.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -66.69 -22.53 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.4 -52.46 47.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -80.98 -42.4 21.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.67 -58.02 5.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . . . -81.11 -30.55 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.93 -43.84 17.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' A' ' 76' ' ' MET . 5.9 mt -46.79 -59.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.544 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 1.1 mpp? -96.14 -170.81 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.45 -160.07 1.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.93 83.13 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.78 -53.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.544 ' CD2' ' HG2' ' A' ' 76' ' ' MET . 0.3 OUTLIER -40.21 136.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 1.9 m-85 -175.16 55.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 47.19 -172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -167.68 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' SER . . . 58.87 121.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.436 ' HA ' HD11 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -88.96 42.71 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 173.57 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.58 167.75 17.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.66 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 64.16 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . 166.3 -42.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.79 66.89 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -73.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 93' ' ' ALA . 2.7 pp -65.54 -50.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.809 ' N ' HD12 ' A' ' 92' ' ' ILE . . . -54.21 -67.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.18 -46.13 15.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.42 -61.2 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -56.45 -28.33 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.74 -35.41 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.82 -57.48 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.03 -52.03 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.72 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.82 -40.13 75.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.61 -51.56 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.9 t -50.93 -39.72 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.78 -81.58 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.06 155.97 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -72.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 51.9 48.16 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.29 -68.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.56 -166.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER 167.3 -54.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 110' ' ' ARG . 18.3 Cg_endo -75.06 60.56 5.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.1 t60 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 tmm? . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.482 0.182 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -170.2 157.67 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -43.79 151.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.5 m -52.5 153.01 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -73.7 91.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -88.99 -55.77 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -44.94 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.9 m -126.58 114.8 22.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.9 11.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -47.1 -60.38 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LEU . 9.1 t-160 -36.17 -53.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.65 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -52.31 -56.66 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -52.81 -28.08 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.57 -36.97 47.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.15 -28.82 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.32 -46.21 13.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.57 -44.49 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.07 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.89 -25.16 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 20' ' ' LEU . 2.3 tt -70.7 -49.9 42.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' N ' HD23 ' A' ' 20' ' ' LEU . 54.1 t -58.16 -57.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.59 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.0 m -53.08 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.39 -24.54 23.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -73.9 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.91 -49.37 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.8 mm -55.37 -25.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.53 -75.9 0.96 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.67 -41.12 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.0 t -83.91 -28.18 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.721 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 86.94 -64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.69 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.86 3.71 6.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.497 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.4 OUTLIER -60.43 132.41 53.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.647 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.63 -43.96 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 6.6 t -53.78 -58.07 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.93 -51.04 67.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.17 -31.72 53.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.68 -36.38 73.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.13 -32.68 76.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.99 -63.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.0 t80 -60.73 -22.97 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.06 -67.51 2.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 80.5 p -60.72 -51.98 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -49.17 -47.28 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -54.66 -65.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' ' CE1' ' A' ' 53' ' ' TYR . . . -61.62 -78.31 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 2.2 mp -39.05 -61.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.7 -48.11 29.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -57.02 -36.52 70.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 3.2 p90 -146.99 79.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 1.1 tm0? -176.69 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER 164.11 73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 52.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -171.27 -46.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 3.5 m-20 -167.62 148.28 4.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -83.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -61.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 27.7 m-80 -40.49 -60.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.3 t -44.74 -47.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -49.63 55.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.977 ' O ' HG23 ' A' ' 68' ' ' THR . 60.6 t -55.55 -39.08 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 6.3 m-85 -72.46 -25.32 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.96 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -47.82 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.977 HG23 ' O ' ' A' ' 64' ' ' VAL . 75.8 p -53.32 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -58.66 -41.18 85.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.54 -57.58 4.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.4 m -67.05 -42.38 84.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.76 -59.66 2.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.55 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -37.87 10.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.2 mt -55.15 -63.64 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.74 166.22 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.54 140.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 ttt -70.93 -53.44 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -101.45 159.54 15.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.2 p90 -37.55 117.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -85.96 -23.52 26.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.78 175.97 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -139.82 25.72 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 87' ' ' MET . . . -118.45 -36.37 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -58.61 -60.56 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.15 91.48 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.459 ' CB ' ' HB2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -172.93 140.53 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 87' ' ' MET . 18.3 Cg_endo -74.96 60.88 5.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.65 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.92 60.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 87' ' ' MET . 1.0 OUTLIER -68.17 -67.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 93' ' ' ALA . 4.3 tp -56.47 -52.3 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -51.25 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.9 -50.64 11.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.61 -55.77 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -30.68 60.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -33.79 67.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.78 -32.67 65.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -48.16 56.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.31 -47.05 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.39 69.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -49.55 -57.54 6.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.65 -43.87 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.33 -71.51 0.8 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.14 167.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 110.64 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.57 173.33 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 10.7 p90 -167.37 124.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.8 t-20 -105.08 -58.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.549 ' C ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 26.7 74.2 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.5 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 48.12 97.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -160.46 142.88 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.4 m 58.15 155.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -74.48 79.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -87.33 15.2 6.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.548 HG23 ' HA ' ' A' ' 89' ' ' ALA . 3.6 p -132.78 -46.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 9' ' ' PRO . 4.3 p -169.83 140.2 1.7 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 8' ' ' VAL . 18.4 Cg_endo -74.99 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.97 -74.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -33.15 -65.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 1.6 m95 -42.61 -55.0 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -41.14 -50.23 3.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.85 -44.58 94.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.1 m-85 -67.74 -30.78 70.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.48 -41.04 37.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.55 -53.55 50.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.17 98.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -66.29 -25.23 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.82 -53.93 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.16 -53.69 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.19 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.4 m -55.12 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.44 -19.83 20.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.52 -72.29 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -70.82 -41.55 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.509 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 56.0 mt -62.8 -26.43 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.19 -72.41 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -46.65 -42.67 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.6 t -83.92 -27.05 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.724 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.57 -51.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.25 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 -3.67 61.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 40.5 m -47.55 116.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.658 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -78.32 -43.48 2.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.479 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 2.8 t -57.47 -56.62 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.94 -50.26 64.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.11 -35.05 64.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.06 -32.02 69.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.7 64.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.38 -60.41 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.55 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.46 -22.73 66.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.13 -67.15 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.465 ' HB2' HD12 ' A' ' 50' ' ' LEU . 83.8 p -59.81 -42.38 93.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -56.86 -40.7 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.93 -69.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.94 -72.58 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 46' ' ' SER . 68.4 mt -45.45 -42.94 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.13 -68.21 1.12 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.81 -14.35 44.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 6.5 m-85 -111.39 32.11 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 45.6 tp60 86.51 84.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -179.96 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.8 t 92.82 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.45 -172.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -39.62 123.24 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.92 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -67.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -40.4 -66.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 58' ' ' ASP . 29.1 m -42.74 -44.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.66 31.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.43 -33.65 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.23 -28.93 57.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.414 HD13 ' HG2' ' A' ' 54' ' ' GLN . 4.9 tp -66.52 -45.38 79.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.61 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.4 m -51.23 -71.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.681 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 24.4 t -68.29 -20.74 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.71 -56.99 19.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 m -83.91 -47.33 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.651 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -49.6 -51.71 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -83.9 -31.13 25.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.16 -42.09 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 72' ' ' LEU . 1.2 tt -60.96 -29.75 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -99.56 -179.62 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.5 -149.9 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 80' ' ' PHE . 2.0 mtt180 -119.55 111.33 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 62.1 m-85 -162.93 166.67 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 44.21 -163.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.8 t60 77.37 62.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 t -174.06 44.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' LYS . . . -90.26 115.96 4.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER 34.89 69.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' LYS . 1.4 m-85 47.96 69.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.471 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -66.31 -51.88 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.592 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . 169.35 -40.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.87 57.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 2.0 tt -70.21 -51.66 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 93' ' ' ALA . 1.4 tp -62.76 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.526 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -56.36 -67.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.87 -47.3 9.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.72 -56.23 9.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -30.56 65.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.54 -31.38 66.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.92 -46.04 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 mtp -58.8 -46.2 88.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.03 -56.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -73.21 -51.81 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.31 -40.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.29 -68.44 1.65 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 106' ' ' SER . 94.3 t -60.94 161.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 105' ' ' VAL . 1.0 OUTLIER -69.06 106.64 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.423 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 8.8 ttp -121.91 139.69 53.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 1.1 m-85 -44.36 -60.25 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 9.1 t-20 77.77 177.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 60.89 125.91 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.78 3.6 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.471 0.177 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -166.86 136.8 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.71 -65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 m -49.75 -66.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.47 177.2 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -178.67 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 88' ' ' PRO . 19.1 t -65.64 -33.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.755 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 174.3 161.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.755 ' HD2' HG22 ' A' ' 8' ' ' VAL . 18.2 Cg_endo -74.97 172.91 15.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.4 tp -57.9 -72.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 10' ' ' LEU . 29.9 m170 -34.3 -65.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.403 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.86 -54.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 3.4 t80 -41.61 -50.25 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.54 -43.05 97.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 t80 -69.32 -27.95 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -75.86 -38.26 36.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -67.76 -52.86 32.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.509 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -63.96 -46.47 84.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -67.5 -22.86 65.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -68.71 -54.19 17.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.597 ' N ' HD23 ' A' ' 20' ' ' LEU . 6.2 p -59.24 -42.59 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 26' ' ' ILE . . . -63.64 -64.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.671 ' O ' HG22 ' A' ' 27' ' ' ILE . 3.3 t -47.15 -68.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 27' ' ' ILE . . . -50.55 -29.64 18.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -81.31 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -53.98 -49.16 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 23' ' ' SER . 2.8 tt -61.16 -25.03 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -70.26 -74.95 0.63 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.42 -46.25 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 42.9 t -75.0 -21.53 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.728 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 81.47 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.01 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.27 44.45 1.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.799 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.0 t -91.19 -142.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.91 -53.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.1 m -60.49 -54.93 39.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -52.82 -50.7 63.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.6 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.79 -33.28 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.26 89.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.85 -55.18 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.37 -65.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -18.61 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.83 -64.37 4.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -66.9 -33.11 74.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.88 -32.74 74.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.93 -57.59 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.9 -58.38 14.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 46' ' ' SER . 2.2 mt -62.32 -55.6 26.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -44.69 -65.53 1.73 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.642 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -56.13 -27.93 55.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 28.5 t80 -89.73 2.01 55.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.5 mt-30 -140.41 -76.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 51' ' ' GLY . 18.4 tp -178.11 131.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m 170.27 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.39 102.04 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.48 109.69 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.86 7.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -56.58 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -41.78 -54.04 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 52' ' ' ALA . 2.3 t -44.17 -51.08 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -51.86 -47.95 64.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.2 t -53.7 -38.07 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -75.2 -27.19 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.03 63.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.46 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -51.05 -72.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.84 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -66.1 -19.6 65.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.45 8.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 72' ' ' LEU . 9.0 t -81.33 -48.49 11.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' N ' HG23 ' A' ' 71' ' ' THR . 0.2 OUTLIER -51.0 -57.1 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -76.11 -32.21 59.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.98 -44.92 19.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mm -63.29 -63.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 179.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.39 -127.39 3.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.3 89.79 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -142.12 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.562 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -121.47 -65.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 80' ' ' PHE . 15.2 p90 -140.49 135.06 31.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.523 ' O ' ' CB ' ' A' ' 83' ' ' SER . 42.3 t60 -45.98 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.3 OUTLIER 86.78 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.967 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -128.14 53.08 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -125.34 -45.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.415 ' O ' ' SD ' ' A' ' 87' ' ' MET . 66.6 t80 53.27 82.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.482 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 170.23 -53.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.1 Cg_endo -74.99 -66.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.68 126.16 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.14 50.28 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.94 -70.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.865 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -67.97 -33.17 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.38 -72.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.46 -47.3 17.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.6 -54.07 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -60.43 -27.77 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.32 -27.11 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -46.09 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.852 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -64.8 -41.97 95.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 96' ' ' SER . 54.5 t -67.01 -51.07 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.07 -51.86 65.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 99' ' ' MET . 79.0 t -54.66 -39.62 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.12 -81.07 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.85 166.27 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.62 136.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.8 ttm -37.81 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 103' ' ' VAL . 8.7 p90 -173.06 102.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -121.65 119.87 33.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.89 158.82 87.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.544 0.211 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 50.04 98.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -155.38 170.93 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.584 HG22 ' H ' ' A' ' 5' ' ' SER . 49.8 m 51.51 176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 4' ' ' THR . 0.9 OUTLIER -39.23 113.64 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.7 t -37.25 -44.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.657 ' CG1' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -154.1 -45.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 9' ' ' PRO . 1.1 m -122.15 164.73 23.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -74.98 176.12 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -55.07 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -35.92 -65.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t-105 -43.66 -52.18 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.8 t80 -43.23 -49.91 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.75 -41.08 97.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 51.6 t80 -69.24 -31.62 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.54 -44.1 65.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -64.77 -52.2 58.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.24 99.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -69.3 -23.87 63.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.14 -50.26 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.1 -50.25 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 27' ' ' ILE . 4.2 m -58.83 -69.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.14 -22.61 36.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.02 -74.75 0.52 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.7 mp -59.89 -38.62 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.54 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 42.6 mt -68.55 -24.91 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.69 -70.16 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -41.83 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 26' ' ' ILE . 15.5 t -83.74 -18.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CA ' ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER 73.88 -63.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.1 -59.49 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . 146.79 -12.34 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER 89.99 148.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -78.57 -43.68 1.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.02 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.8 t -50.04 -62.33 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' HD23 ' A' ' 38' ' ' LEU . 8.3 tt -53.8 -42.8 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -52.5 -40.91 62.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.99 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.34 -39.5 94.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tp -66.75 -60.82 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -62.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.7 t80 -62.79 -20.84 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.49 -63.58 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.9 p -66.93 -44.95 79.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 2.4 tm? -56.02 -29.35 60.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -77.17 -70.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.96 -55.47 5.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . 8.8 mp -67.03 -44.38 80.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -44.61 -47.64 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.2 29.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.4 t80 -111.18 43.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -176.66 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.31 134.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t 167.08 -44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.85 103.5 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.676 ' O ' HG22 ' A' ' 62' ' ' VAL . 1.1 m-20 63.33 126.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.543 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.97 -20.48 16.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -65.47 -84.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -32.81 -66.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 58' ' ' ASP . 16.3 m -39.58 -55.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.497 ' N ' HG23 ' A' ' 62' ' ' VAL . 60.7 t90 -50.01 -50.65 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 22.0 t -51.4 -39.46 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.32 64.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.79 -48.03 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.78 78.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.6 m -53.84 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -63.99 -19.66 65.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.5 -56.1 26.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 m -79.81 -42.32 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -58.14 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.61 -28.8 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.1 -60.43 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -48.43 -34.55 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.36 -167.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.8 -154.68 22.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.75 153.86 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.76 92.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.28 127.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.34 168.5 16.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 97.33 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.4 m -107.73 68.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.77 123.43 8.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.904 ' HG3' ' HB2' ' A' ' 93' ' ' ALA . 10.7 ttpt -87.79 62.41 6.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -168.54 169.75 10.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.41 171.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.657 ' HB3' ' CG1' ' A' ' 7' ' ' VAL . . . -175.42 70.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.98 107.76 0.77 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -64.86 -49.28 71.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.73 -60.57 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.904 ' HB2' ' HG3' ' A' ' 85' ' ' LYS . . . -48.52 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.85 -49.97 8.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.64 -57.29 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 100' ' ' VAL . 3.0 t -54.24 -30.16 49.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -36.13 69.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.21 -62.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.1 mtt -50.41 -44.43 55.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 96' ' ' SER . 3.9 t -56.49 -54.87 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.94 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.0 -61.18 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.42 -26.02 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . 0.409 ' C ' HG23 ' A' ' 105' ' ' VAL . . . -63.96 -66.26 2.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 104' ' ' GLY . 96.7 t -152.15 85.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.93 154.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 146.22 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 109' ' ' ASN . 90.0 t80 -177.8 169.04 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.2 t-20 170.32 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -73.66 157.89 86.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 62.45 5.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.603 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.49 0.186 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 3' ' ' ASP . 0.7 OUTLIER -156.72 158.61 37.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER 50.41 -179.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' SER . 40.6 p 38.0 80.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 85.7 -47.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.6 -59.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.908 HG12 ' HA ' ' A' ' 88' ' ' PRO . 3.6 m -125.4 -45.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 7' ' ' VAL . 34.9 m -157.53 157.8 30.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -75.03 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.88 -65.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -39.15 -62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t90 -47.03 -48.14 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -47.23 -45.37 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.13 75.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -75.13 -38.82 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.77 -53.35 48.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.27 78.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -61.46 -26.62 68.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -70.79 -54.95 9.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -50.88 -57.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 26' ' ' ILE . . . -59.44 -43.93 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 4.1 t -52.72 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -52.34 -18.66 5.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.2 -75.38 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 22' ' ' ALA . 9.1 tt -73.53 -38.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.512 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 50.9 mt -63.93 -28.0 44.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -71.39 1.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -44.9 -44.91 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 38.5 t -84.08 -27.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.53 -50.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.88 -167.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.23 -7.64 81.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -52.74 121.01 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.608 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.5 t -82.19 -46.08 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 -56.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -41.15 -61.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.5 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.03 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.82 73.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -59.11 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -63.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.64 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 4.3 t80 -65.1 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.04 -69.81 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -63.73 -39.8 95.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.4 tp -61.22 -30.04 70.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -73.01 -64.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.58 6.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 38.3 mt -57.34 -46.73 83.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -53.3 -40.53 60.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.01 -26.37 61.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 65' ' ' PHE . 56.0 t80 -84.99 -60.14 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.677 ' HA ' HG23 ' A' ' 62' ' ' VAL . 7.4 mt-30 -84.47 8.22 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER 68.11 -59.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 87.91 19.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -149.54 -53.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.4 129.36 26.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -74.96 -22.63 14.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.31 -69.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' ARG . 24.2 m-80 -37.02 -62.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' A' ' 54' ' ' GLN . 3.6 p -43.43 -53.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -46.46 -49.64 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 60' ' ' ARG . 16.5 t -53.7 -44.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 3.4 m-85 -71.47 -24.16 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.75 -53.34 48.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.5 84.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -55.69 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.598 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.3 m -64.08 -17.25 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.4 -52.19 54.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 m -81.93 -45.3 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.411 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -54.72 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ILE . . . -47.84 -27.89 5.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.755 ' O ' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -39.84 -34.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.12 150.16 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.5 168.9 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 ttt -93.28 -56.7 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 86.69 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -166.7 175.15 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -169.3 -177.47 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -164.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 p -164.6 40.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 46.03 -136.89 8.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -166.41 53.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 87' ' ' MET . 55.8 t80 55.66 95.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER 165.81 -52.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.908 ' HA ' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.04 -8.17 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . 178.32 -71.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.21 69.38 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 3.6 tt -72.13 -60.74 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.2 tp -62.89 -34.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.88 -49.65 12.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.74 -55.08 15.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.8 m -56.41 -30.71 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.92 -52.74 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -59.52 -44.46 93.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 96' ' ' SER . 42.9 t -58.29 -56.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.23 -36.52 71.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -59.88 -52.74 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.504 HG22 ' CE1' ' A' ' 108' ' ' PHE . 70.5 t -56.94 -36.97 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.34 -78.68 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 -177.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m 61.05 148.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.39 149.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.504 ' CE1' HG22 ' A' ' 103' ' ' VAL . 6.3 t80 -157.18 149.14 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t30 175.35 132.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 1.3 mtp-105 -108.13 163.73 16.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.504 0.192 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -174.93 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.21 179.38 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -43.37 164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 7' ' ' VAL . 55.9 p -38.33 -57.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 54.95 28.75 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 5' ' ' SER . 4.1 p -158.1 -49.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 7' ' ' VAL . 20.0 m -133.12 151.52 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.95 43.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -46.19 -57.19 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -40.28 -60.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -45.53 -49.83 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.07 -46.7 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -34.89 91.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.64 -33.92 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.51 46.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.54 -49.42 76.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.12 95.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -70.09 -23.09 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -71.17 -60.74 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 22' ' ' ALA . 10.5 p -53.39 -51.23 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -58.45 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.572 ' CA ' HD12 ' A' ' 27' ' ' ILE . 8.6 m -49.03 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.56 -24.74 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -71.34 0.78 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.707 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.8 mp -75.76 -48.14 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.572 HD12 ' CA ' ' A' ' 23' ' ' SER . 55.9 mt -54.54 -28.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.78 -64.48 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -40.8 -52.16 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 26' ' ' ILE . 9.7 p -84.14 -23.78 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 18.8 tttt 87.43 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.87 171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 -0.77 21.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.485 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.42 118.72 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.976 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.93 -44.71 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.03 -53.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -48.49 -56.34 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -54.89 -49.49 71.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.0 -33.64 57.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.3 -35.2 73.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.37 -32.61 75.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -60.26 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -63.17 -19.19 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.69 -68.77 1.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -41.17 98.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -59.4 -38.33 80.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -67.59 -53.59 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -58.93 -69.94 1.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -53.33 -59.17 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -46.28 -67.57 1.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -42.55 -32.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -69.99 85.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 27.9 mm-40 65.93 24.05 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' CA ' ' O ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 73.27 170.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -107.54 -15.82 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . 1.3 tt0 -100.39 -60.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' VAL . 31.1 t0 -39.62 113.61 0.88 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -70.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 2.8 m120 -43.15 -52.61 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' ASP . 2.5 t -44.98 -50.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -53.02 -47.18 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.46 -34.11 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.09 -26.61 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -58.14 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -32.42 73.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.16 -66.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -48.77 -44.24 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.2 7.71 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.8 m -61.89 -18.0 58.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -81.56 -29.45 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . . . -81.35 -30.57 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.08 -54.59 2.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' A' ' 76' ' ' MET . 10.5 mm -92.87 -59.29 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 9.2 ttp 83.34 122.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.6 -110.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -74.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.452 HH21 ' NZ ' ' A' ' 85' ' ' LYS . 9.9 mmt-85 -133.17 109.11 9.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 2.1 t80 -179.87 167.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 4.5 t80 70.15 -58.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -53.8 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.9 OUTLIER 162.51 -28.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -84.1 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.452 ' NZ ' HH21 ' A' ' 79' ' ' ARG . 0.0 OUTLIER -178.2 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 87' ' ' MET . 43.1 p90 178.52 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.506 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -40.06 -53.91 4.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.3 Cg_endo -74.94 -33.85 4.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . -169.94 118.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.57 58.26 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -71.69 -68.82 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 tp -63.85 -40.24 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.39 -69.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.39 21.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.13 -59.38 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.29 -29.86 35.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tp -72.98 -37.82 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.38 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 ttp -57.36 -43.73 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.3 t -59.51 -46.09 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 105' ' ' VAL . . . -67.54 -29.93 69.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 108' ' ' PHE . 6.0 ttmt -63.07 -46.04 89.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 100' ' ' VAL . 12.8 p -71.61 -31.27 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.25 -46.59 86.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.638 HG13 ' O ' ' A' ' 101' ' ' ALA . 13.2 m -71.35 -156.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' MET . 1.7 m -121.41 177.64 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 80.21 -72.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 67.5 m-85 -76.76 140.73 40.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -148.96 -56.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -179.54 146.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.95 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.582 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.03 172.23 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -177.31 161.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 5' ' ' SER . 77.7 m 53.79 170.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 4' ' ' THR . 48.4 m -74.75 57.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -13.01 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 8' ' ' VAL . 27.4 m -112.15 -52.24 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' HD2' ' A' ' 9' ' ' PRO . 3.5 p -178.41 141.82 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.04 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 11' ' ' HIS . 1.7 tm? -65.52 -75.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.2 -62.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.597 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.492 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -44.5 -58.05 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 t80 -40.86 -45.31 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.68 93.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.422 1.076 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.29 -45.64 83.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -38.96 97.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.23 -56.45 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.07 74.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -71.31 -26.42 62.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.42 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 22' ' ' ALA . 32.7 m -51.55 -52.07 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' N ' HG23 ' A' ' 21' ' ' VAL . . . -60.44 -48.47 81.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.791 ' OG ' HD12 ' A' ' 27' ' ' ILE . 12.7 t -53.28 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -44.57 -27.2 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.45 -77.96 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mp -68.56 -46.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.791 HD12 ' OG ' ' A' ' 23' ' ' SER . 58.7 mt -55.42 -28.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.73 -75.06 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -45.49 -42.41 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.5 t -83.72 -28.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.0 tttt 84.7 -59.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.74 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.74 7.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.9 m -68.07 124.71 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.697 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 58.2 t -78.2 -40.64 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 14.3 m -55.34 -56.48 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.03 -49.58 71.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.4 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -71.03 -34.57 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.69 80.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.91 -58.58 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.99 -64.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 27.8 m-85 -65.08 -18.01 64.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.39 -71.0 0.87 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 p -64.89 -36.29 83.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 5.8 tt -59.68 -42.87 93.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -64.53 -54.87 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.45 -75.01 0.29 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -47.55 -57.79 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -47.04 -68.93 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -41.32 -30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 65' ' ' PHE . 4.4 m-85 -115.0 46.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.706 ' CD ' HG21 ' A' ' 62' ' ' VAL . 3.7 tt0 -173.91 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER 82.78 1.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 38.16 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . 3.1 mt-30 -154.46 -86.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' O ' HG12 ' A' ' 62' ' ' VAL . 2.5 t70 -52.28 115.44 6.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.539 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.99 -32.9 5.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' ASN . 25.6 ttm-85 -61.87 -68.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ARG . 4.5 m-80 -39.21 -67.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.706 HG21 ' CD ' ' A' ' 54' ' ' GLN . 3.7 p -40.36 -47.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -55.25 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 107.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.6 t -52.04 -37.89 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.51 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.7 OUTLIER -70.42 -32.99 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.402 ' O ' ' HA3' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.75 -27.39 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.01 -56.99 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 65' ' ' PHE . 1.7 t -50.26 -56.31 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 13.2 t -73.84 -24.0 59.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 66' ' ' LEU . . . -61.31 -41.58 99.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.1 p -85.3 -49.57 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -52.34 -45.1 65.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -85.02 -36.5 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.01 -46.96 20.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -43.17 -32.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -124.77 -171.75 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.36 -155.13 5.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 ttt -84.94 93.92 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -147.0 -63.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.0 t80 56.24 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.4 t80 59.02 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -170.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.57 61.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -153.62 85.8 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER 167.44 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.683 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 27.8 t80 57.36 14.21 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -69.35 -51.75 16.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -75.01 85.78 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 88' ' ' PRO . . . 70.06 -72.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.414 ' HA3' ' CD1' ' A' ' 86' ' ' PHE . . . 130.48 85.01 0.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.55 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.683 ' CB ' ' CD1' ' A' ' 86' ' ' PHE . . . -60.3 -73.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.97 -46.45 9.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -29.27 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -68.24 -40.23 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.6 -45.01 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -54.54 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 97' ' ' LEU . 11.0 p -57.93 -44.04 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.3 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -55.45 -48.0 75.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.93 -44.03 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.45 -76.27 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.01 164.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.4 108.05 19.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.46 179.01 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -44.01 61.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 54.43 -174.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.69 105.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.86 17.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.521 0.201 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -157.84 148.05 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.598 ' O ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -150.82 165.4 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 3' ' ' ASP . 13.6 t 45.97 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -98.42 131.51 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.7 59.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.55 HG21 ' CE1' ' A' ' 82' ' ' HIS . 46.5 t 67.68 58.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.8 p -175.52 112.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 164.08 34.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.2 mp -49.08 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 5.1 m80 -38.33 -64.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.1 t-105 -44.63 -49.93 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.6 t80 -45.02 -48.85 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.92 -37.28 94.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 t80 -69.93 -32.08 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -46.67 39.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -62.09 -52.27 64.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.3 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -71.76 -23.77 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -55.21 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 22' ' ' ALA . 30.0 m -56.89 -48.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' VAL . . . -62.73 -59.76 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 43.8 m -45.93 -68.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -27.59 34.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -72.06 0.69 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 27' ' ' ILE . 3.0 tt -65.83 -50.33 71.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.801 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.517 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 28.8 mm -57.36 -22.84 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.46 -74.5 0.94 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.61 -39.79 51.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 70.6 t -83.46 -25.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.74 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.78 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.73 44.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.74 38.6 3.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.834 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -81.91 -147.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 177.64 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -62.72 -54.99 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.61 -53.25 49.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -29.08 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -73.41 -30.18 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.83 -34.05 53.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.13 -58.01 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -56.27 -56.98 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 29.7 t80 -63.4 -23.66 67.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.1 -58.67 10.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.447 ' HB2' HD12 ' A' ' 50' ' ' LEU . 89.3 p -62.72 -46.91 85.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.56 -40.05 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -66.84 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -46.51 -65.71 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' TYR . 14.8 mt -55.19 -61.37 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LEU . . . -39.95 -76.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.147 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -38.8 -38.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 3.1 t80 -105.09 63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.509 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 0.0 OUTLIER 159.26 -59.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CA ' HG11 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -166.53 -137.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 3.0 m 37.88 41.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' SER . 1.0 OUTLIER 160.52 83.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.792 ' O ' HG22 ' A' ' 62' ' ' VAL . 1.7 m-20 61.75 123.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -75.05 -34.41 3.8 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -68.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -39.52 -64.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 58' ' ' ASP . 15.3 m -43.56 -47.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 19.8 t90 -48.56 -52.01 24.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.0 t -54.62 -38.62 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.89 -24.76 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.8 tp -68.1 -47.42 68.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.83 -35.74 67.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 43.6 m -57.49 -69.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -20.83 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.78 -59.38 10.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 m -81.1 -45.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' HG22 ' A' ' 75' ' ' ILE . 12.4 tp -44.16 -58.29 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -32.67 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.48 -37.44 12.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 72' ' ' LEU . 7.0 tt -49.47 -39.33 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttm -153.81 111.1 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.42 -142.9 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.5 mtt 52.2 100.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 169.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 4.7 p90 -158.12 165.12 35.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.64 117.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.55 ' CE1' HG21 ' A' ' 7' ' ' VAL . 1.1 p80 -57.87 -168.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 2.7 p 157.86 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.65 -70.78 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 58.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -121.37 178.76 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.1 66.58 8.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -177.48 44.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.61 46.57 65.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -57.04 -66.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.44 -60.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.71 -61.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.38 -49.22 61.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.15 -57.22 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 100' ' ' VAL . 54.3 p -58.49 -31.8 68.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.83 -29.23 66.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.1 mm? -73.25 -56.41 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -43.61 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 96' ' ' SER . 61.3 t -63.39 -53.17 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.27 -42.26 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -60.12 -60.52 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.13 -27.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.7 -85.09 0.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.3 t -137.39 113.36 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.33 162.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 101.49 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.08 -48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 60.93 151.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.85 151.88 93.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 103.84 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.616 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.546 0.213 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -108.3 -41.7 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 2.8 p30 -102.33 173.35 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 22.0 p -50.76 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.6 m -39.91 132.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.9 t -37.52 -66.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.73 -52.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -41.16 122.54 2.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.97 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.56 -54.69 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -61.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.615 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.454 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 6.8 m95 -47.73 -47.93 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -48.0 -44.36 30.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.77 70.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 t80 -73.78 -29.88 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -77.45 -43.25 16.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.28 -46.9 75.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.767 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.42 -49.59 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -63.23 -24.44 67.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 1.9 tp -72.05 -49.25 38.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.48 -56.89 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.74 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -51.74 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.81 -17.2 62.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.67 -70.88 0.92 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.951 ' O ' HG22 ' A' ' 30' ' ' VAL . 53.2 mt -69.43 -45.98 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 23' ' ' SER . 24.6 mt -59.88 -25.02 31.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.5 -68.36 1.54 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.18 -40.94 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 26' ' ' ILE . 4.7 m -84.02 -25.12 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.731 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 5.5 tttt 90.05 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.04 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -36.95 -38.61 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.852 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER 61.98 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.49 -56.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.95 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -62.23 -52.74 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -48.22 -54.2 14.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -50.74 -43.49 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -69.97 -31.32 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' SER . . . -64.21 -37.63 94.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -57.34 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 1.1 tp -47.89 -70.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -62.37 -22.38 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -52.99 -73.41 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -69.59 -42.9 73.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 0.774 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 47' ' ' LEU . 2.4 tt -49.56 -42.15 43.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -72.56 -72.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -40.57 -67.0 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' GLN . 3.0 mm? -60.05 -39.66 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -38.35 -59.55 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.83 -13.56 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 m-85 -118.35 49.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.7 tt0 179.11 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.99 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.29 41.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.05 84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.8 OUTLIER 63.97 130.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.51 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.85 -67.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -53.59 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 58' ' ' ASP . 40.8 t -44.84 -48.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -47.09 77.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.83 -31.81 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.606 ' CZ ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -79.75 -27.15 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -49.53 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.75 65.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -51.59 -70.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 11.1 t -67.58 -23.65 65.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.45 -58.52 10.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -81.96 -48.14 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.68 -56.86 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -79.25 -34.25 42.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.27 -38.72 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.28 -63.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.88 -176.88 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.84 -179.9 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER 40.55 67.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 50.07 -92.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER 67.14 119.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 51.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' A' ' 83' ' ' SER . 14.3 m-70 65.91 152.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.4 OUTLIER 157.43 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -98.74 -35.31 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER 162.68 63.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' MET . 24.7 m-85 -104.55 10.87 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' PHE . 2.8 mtt 35.02 62.91 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.7 -22.51 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.49 48.85 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -72.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -44.47 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.26 -63.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.03 -48.85 51.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.55 -54.68 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 100' ' ' VAL . 81.2 p -60.31 -28.33 68.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.03 -27.17 60.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -46.84 29.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -45.66 91.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 96' ' ' SER . 53.5 t -64.46 -48.37 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.99 57.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -50.42 -57.5 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -43.4 -52.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.89 -81.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 106' ' ' SER . 0.9 OUTLIER -123.6 175.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.474 ' H ' HG22 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 74.45 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.57 141.52 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 20.2 p90 -169.99 121.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -153.41 90.74 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -49.44 151.28 2.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 73.46 4.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.5 t60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.554 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.485 0.184 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 175.95 157.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -132.97 153.85 51.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 5' ' ' SER . 2.3 m 50.1 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.524 ' H ' HG22 ' A' ' 4' ' ' THR . 2.3 m -109.93 64.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.1 36.51 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 7' ' ' VAL . 55.3 t 65.72 40.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 5' ' ' SER . 40.3 t -121.62 125.12 26.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.78 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 3.5 tt -47.38 -55.48 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -40.6 -60.7 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -46.12 -48.43 17.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 107.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -48.77 -46.05 40.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.25 76.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 t80 -71.66 -39.23 70.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -39.79 64.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.28 -55.49 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.01 98.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -66.26 -26.72 67.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.25 -50.0 44.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -57.91 -59.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -51.01 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.27 -20.57 22.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -69.06 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.57 -53.38 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.536 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.2 mt -55.36 -23.27 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.08 -79.43 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.7 -39.11 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 33' ' ' GLY . 18.9 t -83.64 -29.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.0 tttt 88.51 -51.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.51 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.525 ' H ' HG12 ' A' ' 30' ' ' VAL . . . -35.87 -58.23 0.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.849 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER 86.09 81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 171.94 -56.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tp -48.73 -56.94 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.12 -41.25 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.52 -35.95 75.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . -59.95 -36.7 91.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -57.42 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -50.76 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 57.8 m-85 -65.38 -19.93 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -58.18 -74.59 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.47 -34.7 74.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' LEU . 8.7 tt -57.72 -47.51 82.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.81 -69.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.12 -71.85 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.648 ' HG ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -47.43 -47.04 27.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -43.12 -72.88 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -49.73 -27.56 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -71.46 -43.19 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG3' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER 168.18 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD23 ' HG ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -39.82 -31.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER 163.33 114.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.678 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 169.32 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 62.96 146.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 18.2 Cg_endo -74.96 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -60.87 -59.68 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.989 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.8 m-20 -41.34 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 57' ' ' GLN . 28.5 m -39.76 -38.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.13 -59.18 4.87 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.989 HG22 ' O ' ' A' ' 61' ' ' ASN . 6.1 m -53.64 -26.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -80.32 -32.07 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.574 HD23 ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -65.94 -45.3 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.56 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -50.13 -69.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.553 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 60.6 p -68.79 -20.41 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.8 11.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.9 p -81.47 -44.26 17.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.53 -58.5 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -77.65 -31.33 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.95 -44.38 18.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.87 -41.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.482 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -90.97 -179.36 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.46 -141.82 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.04 -67.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.55 149.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -179.0 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -49.71 -178.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.15 67.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 t 166.65 42.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -77.11 -40.74 23.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER 168.59 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.466 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 28.4 p90 -177.71 63.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.59 140.65 3.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.532 ' HG2' HD13 ' A' ' 91' ' ' LEU . 18.3 Cg_endo -75.0 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.14 34.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.91 26.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -60.32 -70.06 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 93' ' ' ALA . 2.1 tp -71.17 -51.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -53.79 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.29 46.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.34 -55.78 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -27.93 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -27.64 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -44.52 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.755 ' O ' HG23 ' A' ' 103' ' ' VAL . 39.9 mtp -65.4 -40.22 93.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.27 -58.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.81 21.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -46.93 -60.72 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 99' ' ' MET . 55.8 t -43.7 -49.72 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.32 -72.06 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 106' ' ' SER . 79.6 t -49.86 -95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.514 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 174.58 92.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.72 145.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 t80 56.6 111.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.91 -50.22 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.33 157.0 1.04 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.03 5.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.625 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.514 0.197 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 175.75 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.0 m 60.4 144.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -48.91 169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.9 p -69.87 69.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' VAL . 37.6 t 68.82 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' SER . 26.8 m -39.56 121.98 1.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.7 mm? -54.1 -54.42 39.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.39 -65.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.634 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -46.13 -48.24 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -46.74 -47.41 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.63 89.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.8 m-85 -73.2 -29.53 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' O ' HD13 ' A' ' 20' ' ' LEU . . . -73.1 -49.24 16.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -64.23 -49.11 73.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.36 99.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -70.28 -22.74 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 16' ' ' GLY . 1.3 mp -70.68 -49.54 46.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.02 -52.44 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 -57.51 12.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 27' ' ' ILE . 33.8 m -45.16 -71.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -49.01 -29.63 8.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -75.35 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.2 mt -58.91 -55.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -54.78 -24.21 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.53 -80.64 0.66 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -46.49 -39.04 10.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 15.4 t -82.73 -31.66 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 2.1 tttp 87.36 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.22 139.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 -3.02 5.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -62.77 122.41 15.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.898 HG22 ' HD3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -76.49 -34.18 1.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.898 ' HD3' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.2 m -56.45 -57.87 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -50.0 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.84 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.89 -34.12 71.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -36.24 77.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -61.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.3 mp -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -57.67 -24.66 57.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.92 3.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 20.0 p -67.6 -21.11 65.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -60.65 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.657 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -64.95 -53.91 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.09 -75.11 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -53.35 -61.4 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -42.65 -72.64 0.28 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 48' ' ' ALA . . . -49.09 -26.95 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t80 -105.24 27.8 7.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 tt0 -157.55 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HG ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 171.13 73.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.69 30.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.9 tt0 -176.88 97.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 57' ' ' GLN . 51.8 m-20 61.49 130.06 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -63.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -56.43 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 57' ' ' GLN . 2.2 t -45.62 -47.35 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.81 -48.28 67.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.07 -35.03 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -26.34 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -47.03 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 71' ' ' THR . . . -67.64 -44.65 77.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 m -53.35 -63.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -60.78 -29.24 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.95 20.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 67' ' ' ALA . 20.7 p -69.01 -49.32 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.87 -41.33 32.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.46 66.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -33.89 30.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 75' ' ' ILE . 32.9 mm -69.27 -62.33 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.19 179.31 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.81 -121.07 4.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.1 mtp 63.35 177.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -69.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 6.6 t80 -169.57 40.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 3.4 t80 70.0 -58.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.88 -167.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.3 p -154.96 50.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.39 -145.23 18.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.81 60.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.36 -154.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.94 170.15 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.81 3.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' GLY . . . -165.41 -52.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . -37.06 141.83 0.23 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -67.71 -46.06 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.537 HG23 ' N ' ' A' ' 93' ' ' ALA . 2.5 tt -62.42 -56.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.537 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -50.54 -71.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.92 -47.28 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -59.07 3.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -28.01 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -71.25 -33.25 69.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.16 -54.31 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.827 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -52.53 -43.98 65.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.94 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.83 -50.75 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.03 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' VAL . 6.6 mttt -56.28 -58.78 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 99' ' ' MET . 70.9 t -39.72 -64.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.33 -58.77 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 106' ' ' SER . 9.8 p -170.11 168.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 105' ' ' VAL . 0.2 OUTLIER 84.98 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.3 174.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 15.4 m-85 -138.36 156.69 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -47.33 -72.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' ASN . 3.8 ptm180 36.69 68.48 1.48 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.99 16.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.555 0.217 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -101.11 107.48 18.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.84 139.28 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 4' ' ' THR . 10.6 t -65.29 84.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p 49.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -60.5 -17.85 47.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.3 t -138.75 130.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 77.39 135.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.02 163.17 35.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -48.12 -55.37 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 38.2 m-70 -38.39 -62.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -45.88 -50.22 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.8 t80 -45.71 -46.83 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.52 94.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 20.9 t80 -69.41 -29.93 67.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.47 -39.18 36.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.0 t80 -66.62 -50.92 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.45 88.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 15' ' ' PHE . . . -59.84 -43.1 94.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.08 89.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 17' ' ' TYR . 84.0 t -50.7 -66.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.43 -48.01 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.52 ' CB ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -48.31 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -46.2 -22.3 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -77.62 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 mm -73.62 -39.8 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' A' ' 23' ' ' SER . 59.9 mt -61.15 -31.76 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -73.91 -58.4 4.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.32 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 28.0 t -84.23 -17.85 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 90.27 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.07 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.78 45.54 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.761 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.2 t -91.9 -143.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.0 -53.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -75.0 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 33.6 t -59.95 -55.54 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -50.81 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.62 -34.27 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -67.95 -36.33 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -34.28 81.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -59.47 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -66.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.685 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 34.6 m-85 -59.11 -18.9 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.92 -63.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -38.78 87.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' HD23 ' A' ' 47' ' ' LEU . 3.8 tt -71.01 -22.17 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -79.38 -51.0 9.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -64.16 -49.73 64.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -71.26 -53.49 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -54.24 -44.11 75.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 48' ' ' ALA . . . -75.32 -23.37 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -49.08 -46.65 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' CB ' ' A' ' 61' ' ' ASN . 7.4 mm-40 -158.93 34.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER 67.29 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.49 1.83 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.82 -57.47 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.719 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.2 t70 -66.21 122.5 81.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.518 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 7.4 m-80 -43.26 -51.03 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 58' ' ' ASP . 52.6 t -45.06 -50.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -46.36 71.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 68' ' ' THR . 30.3 t -58.1 -32.31 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -75.28 -27.48 59.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.38 -55.4 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 1.8 m -59.8 -67.77 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -53.7 -34.83 60.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.81 -61.79 7.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.5 m -62.67 -48.21 80.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD11 ' O ' ' A' ' 77' ' ' GLY . 3.9 tp -42.1 -52.54 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' THR . . . -57.29 -60.77 8.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 76' ' ' MET . 5.0 mp -106.0 -65.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.361 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.415 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 2.8 mtt 166.63 -162.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' O ' HD11 ' A' ' 72' ' ' LEU . . . 138.14 141.88 4.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mtt -70.67 100.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -165.43 170.18 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.53 91.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.3 t80 179.84 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 81' ' ' TYR . 23.6 m-70 -53.02 -173.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.5 p 174.14 57.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.24 63.37 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 -136.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 p90 175.95 -33.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.439 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -47.29 175.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -74.96 62.7 5.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.9 -45.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.94 118.69 6.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 5.1 mp -60.52 -33.25 72.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mm -62.36 -58.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.45 -66.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.81 -48.19 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.28 -63.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -54.01 -27.75 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -69.87 -39.34 76.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -49.56 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mtt -52.7 -54.43 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 97' ' ' LEU . 10.6 p -59.92 -42.1 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.36 81.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.68 78.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.35 -38.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.88 -61.93 4.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.7 p -173.91 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.48 86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.964 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.15 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 7.1 p90 -178.22 105.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -169.67 96.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -98.03 162.1 23.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 100.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 1.9 p80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.578 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.497 0.189 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 164.98 28.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' THR . 7.6 p-10 -151.51 147.51 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASP . 38.5 m 53.56 169.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.779 ' O ' HG22 ' A' ' 8' ' ' VAL . 49.2 m -100.59 49.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t 66.64 -73.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' SER . 12.4 p -168.39 42.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 5' ' ' SER . 17.2 m -136.14 132.29 19.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.04 157.5 42.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.9 tt -46.43 -54.43 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -40.89 -59.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -46.12 -48.96 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 108.013 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.5 t80 -49.37 -45.57 46.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -33.18 86.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -69.15 -37.39 78.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.87 -41.49 72.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -53.3 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.51 78.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.56 -27.16 62.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.1 -58.9 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 22' ' ' ALA . 7.1 p -54.02 -53.35 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -55.99 -48.28 76.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -50.72 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.05 -23.43 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -75.17 0.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 30' ' ' VAL . 6.7 pt -73.67 -41.46 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.485 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 34.1 mm -60.16 -29.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.17 -64.6 2.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.11 -49.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 26' ' ' ILE . 2.2 m -83.64 -23.06 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.73 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 87.14 -59.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.17 140.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.87 -3.82 4.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -53.4 131.96 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -79.47 -43.41 1.62 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 13.0 m -51.67 -57.64 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -49.07 73.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.49 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -71.74 -33.37 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.2 -34.7 81.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -59.2 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -49.47 -61.43 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.86 -17.62 64.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -67.73 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 23.4 m -69.49 -33.2 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.3 tm? -62.35 -42.99 99.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.92 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.43 -70.71 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 46' ' ' SER . 7.1 tp -46.35 -49.75 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -50.33 -64.2 3.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.6 -18.27 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.02 -69.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.912 ' HA ' HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -90.25 23.32 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER 27.98 85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -76.18 54.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -156.34 -46.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.748 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -126.38 136.83 29.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.98 -29.5 8.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.8 mtt180 -63.45 -69.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 76.5 m-20 -39.6 -66.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.912 HG23 ' HA ' ' A' ' 54' ' ' GLN . 2.4 p -40.24 -47.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -55.86 9.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.044 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.6 t -52.93 -37.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.55 67.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -46.68 83.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.11 82.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -58.92 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.89 -54.55 37.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 m -78.62 -41.36 31.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.07 -59.61 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.76 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.45 -57.64 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 pt -51.97 -32.48 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -98.88 -173.07 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.44 176.72 16.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.92 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -101.82 74.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -175.58 165.38 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -159.62 117.28 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 -176.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.644 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.406 ' HB2' HD13 ' A' ' 92' ' ' ILE . 13.5 p -140.21 38.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.01 -53.98 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.069 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.47 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 178.34 -57.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.507 ' HG2' ' HB2' ' A' ' 93' ' ' ALA . 0.7 OUTLIER -175.38 62.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -75.01 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.54 48.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -143.29 11.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.627 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -71.94 -36.86 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 83' ' ' SER . 2.7 mp -62.58 -69.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 87' ' ' MET . . . -52.65 -60.66 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.12 -50.49 9.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.42 -63.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -52.23 -27.78 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -40.43 64.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.838 HD23 ' NZ ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -69.21 -37.91 78.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -53.13 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 96' ' ' SER . 33.3 m -61.99 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -60.84 -31.9 71.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.838 ' NZ ' HD23 ' A' ' 98' ' ' LEU . 11.4 mttt -67.35 -45.47 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.44 -36.92 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.1 -78.75 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 106' ' ' SER . 95.9 t -86.83 166.76 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' SER . . . . . 0.532 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 63.4 166.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -95.66 -25.44 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.426 ' N ' ' HG2' ' A' ' 107' ' ' MET . 33.8 t80 55.89 170.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.1 t-20 -173.19 99.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' CB ' ' CD ' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -65.02 174.1 1.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 111' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 110' ' ' ARG . 18.2 Cg_endo -75.0 143.52 29.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.81 -46.86 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -169.95 165.45 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 5' ' ' SER . 0.6 OUTLIER 52.24 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.62 ' N ' HG23 ' A' ' 4' ' ' THR . 11.4 m -38.89 121.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.883 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.7 t -70.01 59.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.759 HG22 ' O ' ' A' ' 6' ' ' SER . 5.9 m 50.86 23.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 6' ' ' SER . 2.4 p 177.66 102.53 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.05 172.73 15.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -53.52 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' LEU . 64.9 m80 -30.32 -65.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.494 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -41.41 -59.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t80 -39.26 -49.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -47.29 89.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 m-85 -67.9 -29.12 68.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -49.85 28.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -60.77 -46.45 90.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.01 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.36 -31.91 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -52.07 28.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.23 -59.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.97 -51.87 68.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.493 ' OG ' HD12 ' A' ' 27' ' ' ILE . 10.1 t -49.57 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.43 -26.41 1.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.51 -79.57 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 mm -69.61 -46.5 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.555 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.3 mt -55.17 -26.98 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.17 -75.28 1.02 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -42.54 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.0 t -84.02 -27.3 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.741 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 18.1 tttt 88.01 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 157.15 62.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.48 44.95 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' VAL . 88.7 p -91.29 -123.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 164.09 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.06 -46.67 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 36.8 t -59.43 -56.44 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -50.11 66.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.7 64.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -72.86 -32.37 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.48 -32.84 61.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -59.57 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 4.5 t80 -64.01 -21.13 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.06 -60.65 8.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -46.49 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.757 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 6.2 tp -56.47 -31.46 64.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -70.46 -59.95 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -60.6 -60.91 7.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 54' ' ' GLN . 2.6 mp -57.64 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.37 -47.33 16.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -54.71 -42.79 71.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 13.4 p90 -150.29 85.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 179.18 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.72 -77.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.33 168.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 73.31 -177.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.49 131.72 1.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -69.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.89 -57.85 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 54' ' ' GLN . 2.1 t -44.69 -46.73 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.35 67.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.72 -32.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -27.3 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.11 -47.5 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.64 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -51.87 -69.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.537 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 3.7 t -67.72 -21.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.69 -57.17 18.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 m -83.12 -44.84 14.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.8 tp -49.92 -51.76 38.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -84.53 -29.58 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.9 -52.04 12.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 76' ' ' MET . 1.6 tp -58.26 -49.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.44 ' N ' HG23 ' A' ' 75' ' ' ILE . 19.8 mmt -55.81 -73.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.43 -154.59 24.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 147.74 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.03 125.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 50.3 p90 -45.95 162.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -107.84 -42.68 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -41.51 105.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.569 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 3.3 p 165.12 67.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.49 -75.38 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -138.7 43.55 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 3.3 p90 -178.64 143.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.16 151.49 0.38 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.723 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . 160.98 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.65 80.09 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -71.83 -61.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -63.17 -52.15 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -60.67 -66.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.05 -51.45 8.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.41 -56.53 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' SER . . . . . 0.476 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -53.74 -35.03 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.4 tt -72.4 -31.94 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.41 -30.92 62.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.572 ' O ' HG23 ' A' ' 103' ' ' VAL . 12.4 mtt -71.2 -48.47 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 96' ' ' SER . 9.9 p -73.35 -32.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 105' ' ' VAL . . . -70.39 -44.77 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -61.5 -49.74 75.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 99' ' ' MET . 56.1 t -54.41 -47.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.43 -33.18 84.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 101' ' ' ALA . 42.9 t -96.98 46.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 58.09 -95.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 mmt 40.01 83.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.35 124.44 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.5 t-20 -77.27 -69.37 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER 35.76 71.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.84 14.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 p80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' THR . 61.8 m-20 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' ASP . 43.5 m -38.82 -65.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 15.6 p -153.62 111.58 3.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 66.8 m -38.13 -55.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -138.11 -53.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 5' ' ' SER . 42.6 t -40.59 105.29 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.16 16.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.8 mt -57.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t-80 -38.61 -63.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -48.98 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.3 t80 -46.43 -45.63 18.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -36.04 90.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.2 m-85 -69.31 -35.15 75.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.764 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.16 -41.97 52.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -53.45 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.49 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' PHE . . . -67.0 -30.11 70.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -44.42 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.3 -55.07 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -52.68 58.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.662 ' O ' HG22 ' A' ' 27' ' ' ILE . 27.9 t -45.8 -71.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 27' ' ' ILE . . . -53.42 -30.92 42.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.77 -77.93 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 26' ' ' ILE . 26.8 mm -61.92 -56.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -49.99 -25.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.27 -79.34 0.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -45.13 -42.62 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 89.5 t -80.17 -31.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.676 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 2.3 ttmm 87.46 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 164.36 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.49 -15.4 56.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -41.96 105.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -77.77 -48.75 2.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -56.66 -58.93 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -53.25 -49.75 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.03 63.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.38 -33.55 71.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.43 -33.8 68.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -57.18 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.649 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.2 t80 -63.11 -19.15 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.62 -64.54 3.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -63.56 -43.24 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.2 mp -60.58 -32.38 71.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -67.64 -58.5 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.41 -63.26 5.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 9.8 mp -54.73 -61.3 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.38 -46.12 22.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -57.01 -39.67 75.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 2.6 p90 -149.7 79.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . 56.9 tp60 -172.74 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tp -176.36 100.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t 179.55 -47.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 62' ' ' VAL . 7.9 tp60 -112.95 106.3 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.749 ' O ' HG22 ' A' ' 62' ' ' VAL . 73.0 m-20 62.18 126.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -32.3 5.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -67.69 -70.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' ARG . 3.6 m120 -38.62 -63.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.749 HG22 ' O ' ' A' ' 58' ' ' ASP . 21.1 m -45.04 -49.16 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.424 ' N ' HG23 ' A' ' 62' ' ' VAL . 17.2 t90 -52.74 -47.28 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' ARG . 24.2 t -56.03 -35.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -76.3 -25.53 54.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -47.67 63.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.86 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.5 m -56.01 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -68.3 -22.15 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.68 -51.22 60.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -80.01 -48.83 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.18 -56.11 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -75.27 -32.43 61.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.28 -46.1 21.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.326 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 4.3 tt -69.14 -69.5 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.92 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.49 -72.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.85 -52.52 9.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -54.03 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -54.61 -35.48 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.9 -32.15 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -55.17 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.58 -43.18 75.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 96' ' ' SER . 35.6 t -58.84 -54.2 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.47 70.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -60.1 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 100' ' ' VAL . 12.5 p -59.99 -23.02 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.02 -78.11 0.46 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 105' ' ' VAL . 15.8 m -139.88 91.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.9 140.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.3 mtt -58.12 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -147.02 150.12 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.8 p -39.17 147.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -61.25 82.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 73.2 p -59.99 -45.13 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.96 -74.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -51.63 113.35 3.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 153.54 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.5 -57.25 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.5 t60 -39.47 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.412 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 5.4 m95 -45.11 -50.32 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -46.93 -47.3 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.45 89.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.5 m-85 -70.66 -35.59 72.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.548 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -69.16 -46.99 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -61.69 -51.21 69.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.29 80.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -60.28 -27.54 67.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -69.47 -56.23 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -50.21 -58.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.01 82.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.6 m -50.22 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.061 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.64 -18.64 11.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.88 -75.28 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.58 -37.26 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.9 mm -66.69 -27.27 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -68.98 1.45 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -48.93 -43.7 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.87 -21.79 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.5 ttmt 80.7 -56.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 162.18 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.04 -10.56 60.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -45.19 120.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -80.94 -48.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.09 -53.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -44.5 -64.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.12 -46.85 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -51.32 -36.54 43.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.12 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.08 88.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.424 1.077 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.55 -62.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 6.9 t80 -62.48 -25.04 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.3 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.505 ' HB2' HD13 ' A' ' 50' ' ' LEU . 71.3 p -65.16 -53.83 39.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -46.28 -32.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -72.99 -71.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -61.42 5.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 46' ' ' SER . 0.4 OUTLIER -55.9 -46.48 78.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.64 -52.91 18.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.25 61.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -78.83 -58.05 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 174.77 150.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.6 m 157.62 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 118.63 8.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 62' ' ' VAL . 89.5 m-20 60.73 112.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.18 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -43.07 -54.64 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 58' ' ' ASP . 3.2 t -44.38 -49.09 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.33 -48.38 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.65 -34.61 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -28.22 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -49.72 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.75 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 m -45.42 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.91 -26.58 68.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.29 19.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -38.45 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -35.38 62.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -82.21 -47.57 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -32.17 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.402 ' HA ' HD13 ' A' ' 75' ' ' ILE . 24.8 mm . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.59 -38.57 72.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -63.65 -55.28 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -49.66 -69.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.13 -49.88 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.48 -57.33 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -54.76 -31.77 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.56 -35.04 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -45.76 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -58.6 -44.82 89.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 96' ' ' SER . 53.7 t -62.65 -51.37 72.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 -25.91 65.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -76.51 -43.35 39.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 99' ' ' MET . 84.3 t -61.62 -35.63 68.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.35 -68.79 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 106' ' ' SER . 0.3 OUTLIER -57.42 -179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.483 ' N ' HG13 ' A' ' 105' ' ' VAL . 0.6 OUTLIER -90.77 102.04 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 177.43 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -121.81 140.8 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 p30 . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.996 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' ASP . 89.3 m 56.71 160.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -49.31 125.02 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.9 m -60.34 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' VAL . 28.1 t 69.85 -60.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' VAL . 24.7 t -38.82 107.81 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.418 1.746 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.8 mm? -63.32 -67.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LEU . 47.7 m80 -38.46 -63.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -43.94 -50.6 8.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.943 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -46.02 -48.95 16.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.96 92.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.0 m-85 -71.13 -34.54 71.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.8 -46.15 61.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -63.35 -52.97 59.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.46 72.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -76.63 -24.28 53.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 22' ' ' ALA . 12.3 p -64.22 -46.64 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.421 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -63.29 -45.28 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.525 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 14.6 m -58.24 -65.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -32.37 46.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -66.65 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.51 -61.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 23' ' ' SER . 1.1 pp -52.58 -21.06 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.41 -82.57 0.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -49.89 -34.05 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.6 t -83.84 -31.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 82.27 -65.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.93 155.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.54 4.03 20.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -65.87 127.93 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.625 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.0 t -79.88 -44.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.6 Cg_endo -74.94 -47.37 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.4 t -50.82 -61.22 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.58 -49.41 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.07 -33.4 51.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.71 -37.29 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -35.31 91.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -58.69 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.12 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.533 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 5.3 m-85 -60.3 -20.9 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.63 -67.59 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.8 m -64.57 -48.24 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -51.03 -42.31 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -61.48 -60.88 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.12 -73.17 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 11.1 mp -44.18 -59.42 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.466 ' HA2' ' CB ' ' A' ' 56' ' ' SER . . . -50.33 -48.09 41.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -56.02 -34.22 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.721 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-85 -155.22 83.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -179.07 -72.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.48 70.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -179.68 36.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.05 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -179.81 89.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLN . 1.7 m-20 61.78 130.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.16 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -41.43 -52.7 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 t -44.75 -52.1 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -52.52 -46.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 108.032 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 64' ' ' VAL . 14.9 t -55.96 -36.9 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -77.19 -23.53 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -47.61 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -71.93 -40.34 68.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.2 m -55.04 -68.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -64.58 -28.96 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.51 -50.62 52.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 m -76.87 -45.84 26.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -46.31 -48.66 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.68 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.73 -47.04 30.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 72' ' ' LEU . 4.9 tp . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -63.1 -61.22 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.67 -65.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.86 -65.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.57 -51.15 10.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.04 -54.72 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -32.8 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -32.13 68.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -68.97 -49.72 55.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -46.13 89.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -57.96 -50.35 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.96 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -48.5 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.69 -53.69 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.55 -76.46 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 73.1 t -45.32 150.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.9 m -85.29 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.1 tpt 179.43 150.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.13 167.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 m 59.14 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -46.62 162.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.2 m -79.53 54.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.4 t 64.64 56.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 7' ' ' VAL . 7.9 m -154.51 132.77 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.6 mp -50.5 -59.21 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 13.5 m170 -39.27 -59.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 8.4 m95 -45.77 -51.52 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 5.2 t80 -47.86 -45.32 30.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.28 -34.47 89.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -74.96 -31.79 61.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.98 57.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.58 -43.43 72.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.1 78.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -75.18 -22.48 58.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.78 -53.7 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.5 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -56.09 18.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 27.6 m -47.73 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.423 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -57.43 -26.41 56.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.72 -68.18 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.439 HG23 HG21 ' A' ' 30' ' ' VAL . 73.3 mt -69.34 -53.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.543 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.7 mt -54.31 -23.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -80.06 0.79 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -39.25 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.4 t -84.1 -30.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 89.82 -53.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.54 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 -7.35 59.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 51.0 m -42.53 116.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.4 t -79.15 -46.63 1.66 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' SER . 1.7 t -51.82 -60.99 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -47.17 70.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -29.92 62.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.88 -34.05 65.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -59.24 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.42 -59.66 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.3 t80 -66.6 -24.14 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.59 -67.15 2.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -66.91 -48.35 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.435 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 4.5 tp -49.71 -38.69 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -71.32 -76.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.45 -63.06 2.57 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -54.62 -61.15 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -42.13 -73.13 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.04 -32.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' SER . 1.9 t80 -106.58 41.06 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' GLY . 6.2 tp60 -173.43 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.587 HD22 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER 179.7 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.0 37.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.26 83.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER 67.72 129.36 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.57 -55.26 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.587 HG11 HD22 ' A' ' 55' ' ' LEU . 2.5 t -45.29 -48.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.41 -47.12 69.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.24 -34.39 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -25.69 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -49.03 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.78 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -52.8 -67.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.473 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.63 -53.92 26.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -74.26 -49.82 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -42.38 -59.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.49 90.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.5 -30.86 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 mm . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.251 -179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -73.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 93' ' ' ALA . 17.8 pt -64.11 -38.72 83.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 92' ' ' ILE . . . -58.32 -75.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.9 -47.5 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.77 -57.97 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.04 -31.53 63.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -34.69 77.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.95 -51.5 25.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.62 -46.48 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 96' ' ' SER . 85.7 t -61.72 -51.41 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.26 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -52.22 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.1 -44.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.58 -75.42 0.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.33 160.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -43.51 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.6 174.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.97 151.77 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.995 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -42.61 152.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.9 t -59.77 -32.31 70.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t 66.92 -71.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.72 HG23 HG22 ' A' ' 8' ' ' VAL . 15.6 m -95.88 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.974 HG12 ' CD2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER 41.45 91.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.26 3.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -46.48 -57.45 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LEU . 28.0 t60 -38.67 -65.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.974 ' CD2' HG12 ' A' ' 8' ' ' VAL . 2.2 t90 -46.46 -47.53 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.46 -46.35 37.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.64 71.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -73.97 -33.54 63.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 0.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -74.2 -48.4 15.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -49.67 73.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.99 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -51.68 -32.85 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 5.3 tt -68.92 -50.57 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 t -50.52 -58.29 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.77 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.5 m -49.12 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.98 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.41 -31.14 3.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -77.44 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.72 -52.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.542 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 14.7 mm -52.81 -24.14 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.22 -78.11 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.93 -40.09 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 45.6 t -83.56 -28.1 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.4 tttp 88.75 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.48 44.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.18 44.89 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.6 t -90.07 -138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.7 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.96 -47.51 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -60.4 -54.41 45.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -51.21 63.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.73 -29.56 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -73.28 -31.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.93 -34.87 58.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -59.58 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -57.83 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 26.9 t80 -63.99 -22.33 66.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.71 -62.46 5.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 58.1 m -62.76 -45.01 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.42 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -60.97 -28.23 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -74.72 -76.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -49.6 -50.21 31.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 46' ' ' SER . 6.5 tp -64.23 -61.51 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -39.85 -56.79 2.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.9 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.6 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 45.0 m-85 -104.85 52.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.552 ' N ' ' CE2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -178.12 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -179.62 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.74 42.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.2 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' VAL . 26.9 m-20 63.21 132.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -67.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -54.52 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 2.6 t -42.82 -50.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -49.76 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.4 -34.63 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -74.63 -33.35 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.79 -49.61 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.83 78.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 m -55.87 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.67 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.42 -58.43 8.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 m -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -45.39 -59.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.26 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.06 -39.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.319 179.976 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -66.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.59 -44.6 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.07 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.07 -49.38 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.9 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -27.85 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -38.52 74.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.654 HD12 ' HE3' ' A' ' 102' ' ' LYS . 1.2 mm? -71.29 -33.05 69.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -51.94 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 103' ' ' VAL . 33.8 m -69.29 -28.92 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.0 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.654 ' HE3' HD12 ' A' ' 98' ' ' LEU . 10.0 mttt -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 100' ' ' VAL . 8.3 p -56.94 -30.55 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.31 -40.94 91.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -164.96 133.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.93 101.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -40.76 -64.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . 8.3 m-20 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . 9.0 t -42.54 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' THR . 51.5 p -37.92 -40.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 60.65 145.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.6 t 64.23 -81.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 13.4 m -67.3 133.81 93.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 18.3 Cg_endo -75.06 166.76 28.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.79 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 5.2 p-80 -40.58 -53.85 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.461 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t-105 -47.29 -53.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -49.1 -41.08 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.45 91.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -68.5 -35.99 78.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -71.45 -40.13 60.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.42 1.075 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.74 -44.53 89.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.05 79.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -68.1 -52.62 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.79 -58.53 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.32 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -49.99 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -50.43 -26.78 10.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -72.78 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.92 ' O ' HG12 ' A' ' 30' ' ' VAL . 9.0 mt -71.43 -50.32 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.508 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.2 mm -53.29 -27.33 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.42 -72.86 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.15 -43.7 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 26' ' ' ILE . 2.9 p -83.52 -27.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.717 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.92 -63.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 161.69 151.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.52 5.28 8.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.501 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 m -64.8 129.33 39.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.656 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -80.28 -43.28 1.39 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.93 -42.37 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 6.7 t -56.83 -57.13 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -54.12 -50.74 66.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.79 57.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -69.26 -36.1 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.58 -32.96 79.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 25.0 m-85 -62.36 -18.53 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.16 -66.7 2.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -63.25 -44.2 95.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -56.59 -42.31 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -61.14 -58.58 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.18 -76.24 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.675 HD23 HD22 ' A' ' 55' ' ' LEU . 6.5 mp -44.28 -59.41 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.9 -67.28 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.588 1.18 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -48.23 -23.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 4.7 m-85 -95.7 30.15 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.491 ' C ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 51.08 88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.675 HD22 HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -145.81 -46.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.93 62.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.77 -73.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.799 ' O ' HG23 ' A' ' 62' ' ' VAL . 47.8 m-20 -133.16 155.63 80.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -53.62 -66.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.24 -51.24 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 58' ' ' ASP . 18.3 t -45.09 -49.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.08 -46.27 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 108.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.57 -32.54 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.0 t80 -79.58 -25.24 41.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.15 -49.99 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.15 69.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -72.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -66.69 -22.53 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.4 -52.46 47.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -80.98 -42.4 21.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.67 -58.02 5.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.11 -30.55 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.93 -43.84 17.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.9 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -73.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 93' ' ' ALA . 2.7 pp -65.54 -50.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.809 ' N ' HD12 ' A' ' 92' ' ' ILE . . . -54.21 -67.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.18 -46.13 15.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.42 -61.2 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -56.45 -28.33 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.74 -35.41 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.82 -57.48 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.03 -52.03 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.72 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.82 -40.13 75.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.61 -51.56 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.9 t -50.93 -39.72 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.78 -81.58 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.06 155.97 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -72.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 51.9 48.16 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.29 -68.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.5 m -52.5 153.01 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -73.7 91.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -88.99 -55.77 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -44.94 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.9 m -126.58 114.8 22.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.9 11.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -47.1 -60.38 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LEU . 9.1 t-160 -36.17 -53.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.65 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -52.31 -56.66 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -52.81 -28.08 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.57 -36.97 47.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.15 -28.82 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.32 -46.21 13.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.57 -44.49 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.07 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.89 -25.16 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 20' ' ' LEU . 2.3 tt -70.7 -49.9 42.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' N ' HD23 ' A' ' 20' ' ' LEU . 54.1 t -58.16 -57.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.59 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.0 m -53.08 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.39 -24.54 23.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -73.9 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.91 -49.37 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.8 mm -55.37 -25.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.53 -75.9 0.96 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.67 -41.12 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.0 t -83.91 -28.18 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.721 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 86.94 -64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.69 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.86 3.71 6.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.497 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.4 OUTLIER -60.43 132.41 53.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.647 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.63 -43.96 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 6.6 t -53.78 -58.07 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.93 -51.04 67.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.17 -31.72 53.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.68 -36.38 73.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.13 -32.68 76.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.99 -63.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.0 t80 -60.73 -22.97 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.06 -67.51 2.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 80.5 p -60.72 -51.98 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -49.17 -47.28 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -54.66 -65.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' ' CE1' ' A' ' 53' ' ' TYR . . . -61.62 -78.31 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 2.2 mp -39.05 -61.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.7 -48.11 29.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -57.02 -36.52 70.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 3.2 p90 -146.99 79.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 1.1 tm0? -176.69 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER 164.11 73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 52.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -171.27 -46.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 3.5 m-20 -167.62 148.28 4.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -83.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -61.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 27.7 m-80 -40.49 -60.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.3 t -44.74 -47.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -49.63 55.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.977 ' O ' HG23 ' A' ' 68' ' ' THR . 60.6 t -55.55 -39.08 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 6.3 m-85 -72.46 -25.32 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.96 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -47.82 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.977 HG23 ' O ' ' A' ' 64' ' ' VAL . 75.8 p -53.32 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -58.66 -41.18 85.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.54 -57.58 4.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.4 m -67.05 -42.38 84.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.76 -59.66 2.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.55 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -37.87 10.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.2 mt . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -68.17 -67.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 109.31 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 93' ' ' ALA . 4.3 tp -56.47 -52.3 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -51.25 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.9 -50.64 11.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.61 -55.77 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -30.68 60.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -33.79 67.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.78 -32.67 65.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -48.16 56.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.31 -47.05 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.39 69.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -49.55 -57.54 6.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.65 -43.87 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.33 -71.51 0.8 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.14 167.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 110.64 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.57 173.33 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 10.7 p90 -167.37 124.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.4 m 58.15 155.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -74.48 79.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -87.33 15.2 6.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.6 p -132.78 -46.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 9' ' ' PRO . 4.3 p -169.83 140.2 1.7 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 8' ' ' VAL . 18.4 Cg_endo -74.99 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.97 -74.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -33.15 -65.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 1.6 m95 -42.61 -55.0 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -41.14 -50.23 3.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.85 -44.58 94.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.1 m-85 -67.74 -30.78 70.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.48 -41.04 37.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.55 -53.55 50.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.17 98.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -66.29 -25.23 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.82 -53.93 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.16 -53.69 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.19 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.4 m -55.12 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.44 -19.83 20.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.52 -72.29 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -70.82 -41.55 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.509 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 56.0 mt -62.8 -26.43 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.19 -72.41 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -46.65 -42.67 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.6 t -83.92 -27.05 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.724 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.57 -51.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.25 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 -3.67 61.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 40.5 m -47.55 116.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.658 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -78.32 -43.48 2.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.479 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 2.8 t -57.47 -56.62 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.94 -50.26 64.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.11 -35.05 64.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.06 -32.02 69.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.7 64.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.38 -60.41 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.55 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.46 -22.73 66.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.13 -67.15 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.465 ' HB2' HD12 ' A' ' 50' ' ' LEU . 83.8 p -59.81 -42.38 93.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.415 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -56.86 -40.7 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.93 -69.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.94 -72.58 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 46' ' ' SER . 68.4 mt -45.45 -42.94 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.13 -68.21 1.12 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.81 -14.35 44.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 6.5 m-85 -111.39 32.11 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 45.6 tp60 86.51 84.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.576 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -179.96 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.8 t 92.82 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.45 -172.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -39.62 123.24 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.92 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -67.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -40.4 -66.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 58' ' ' ASP . 29.1 m -42.74 -44.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.66 31.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.43 -33.65 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.23 -28.93 57.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.414 HD13 ' HG2' ' A' ' 54' ' ' GLN . 4.9 tp -66.52 -45.38 79.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.61 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.4 m -51.23 -71.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.681 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 24.4 t -68.29 -20.74 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.71 -56.99 19.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 m -83.91 -47.33 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.651 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -49.6 -51.71 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -83.9 -31.13 25.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.16 -42.09 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 72' ' ' LEU . 1.2 tt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 2.0 tt -70.21 -51.66 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 93' ' ' ALA . 1.4 tp -62.76 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.526 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -56.36 -67.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.87 -47.3 9.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.72 -56.23 9.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -30.56 65.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.54 -31.38 66.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.92 -46.04 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 mtp -58.8 -46.2 88.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.03 -56.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -73.21 -51.81 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.31 -40.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.29 -68.44 1.65 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 106' ' ' SER . 94.3 t -60.94 161.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 105' ' ' VAL . 1.0 OUTLIER -69.06 106.64 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.423 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 8.8 ttp -121.91 139.69 53.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.443 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 1.1 m-85 -44.36 -60.25 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 9.1 t-20 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 m -49.75 -66.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.47 177.2 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -178.67 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.1 t -65.64 -33.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.755 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 174.3 161.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.755 ' HD2' HG22 ' A' ' 8' ' ' VAL . 18.2 Cg_endo -74.97 172.91 15.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.4 tp -57.9 -72.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 10' ' ' LEU . 29.9 m170 -34.3 -65.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.403 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.86 -54.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 3.4 t80 -41.61 -50.25 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.54 -43.05 97.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 t80 -69.32 -27.95 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -75.86 -38.26 36.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -67.76 -52.86 32.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.509 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -63.96 -46.47 84.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -67.5 -22.86 65.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -68.71 -54.19 17.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.597 ' N ' HD23 ' A' ' 20' ' ' LEU . 6.2 p -59.24 -42.59 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 26' ' ' ILE . . . -63.64 -64.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.671 ' O ' HG22 ' A' ' 27' ' ' ILE . 3.3 t -47.15 -68.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 27' ' ' ILE . . . -50.55 -29.64 18.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -81.31 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -53.98 -49.16 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 23' ' ' SER . 2.8 tt -61.16 -25.03 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -70.26 -74.95 0.63 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.42 -46.25 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 42.9 t -75.0 -21.53 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.728 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 81.47 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.01 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.27 44.45 1.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.799 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.0 t -91.19 -142.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.91 -53.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.1 m -60.49 -54.93 39.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -52.82 -50.7 63.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.6 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.79 -33.28 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.26 89.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.85 -55.18 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.37 -65.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -18.61 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.83 -64.37 4.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -66.9 -33.11 74.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.88 -32.74 74.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.93 -57.59 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.9 -58.38 14.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 46' ' ' SER . 2.2 mt -62.32 -55.6 26.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -44.69 -65.53 1.73 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.642 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -56.13 -27.93 55.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 28.5 t80 -89.73 2.01 55.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.5 mt-30 -140.41 -76.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 51' ' ' GLY . 18.4 tp -178.11 131.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m 170.27 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.39 102.04 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.48 109.69 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.86 7.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -56.58 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -41.78 -54.04 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 52' ' ' ALA . 2.3 t -44.17 -51.08 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -51.86 -47.95 64.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.2 t -53.7 -38.07 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -75.2 -27.19 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.03 63.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.46 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -51.05 -72.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.84 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -66.1 -19.6 65.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.45 8.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 72' ' ' LEU . 9.0 t -81.33 -48.49 11.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.421 ' N ' HG23 ' A' ' 71' ' ' THR . 0.2 OUTLIER -51.0 -57.1 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -76.11 -32.21 59.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.98 -44.92 19.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.272 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.97 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.94 -70.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.865 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -67.97 -33.17 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.38 -72.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.46 -47.3 17.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.6 -54.07 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -60.43 -27.77 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.32 -27.11 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -46.09 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.852 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -64.8 -41.97 95.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 96' ' ' SER . 54.5 t -67.01 -51.07 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.07 -51.86 65.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 99' ' ' MET . 79.0 t -54.66 -39.62 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.12 -81.07 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.85 166.27 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.62 136.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.8 ttm -37.81 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 103' ' ' VAL . 8.7 p90 -173.06 102.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 p30 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t0 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.584 HG22 ' H ' ' A' ' 5' ' ' SER . 49.8 m 51.51 176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 4' ' ' THR . 0.9 OUTLIER -39.23 113.64 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.7 t -37.25 -44.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -154.1 -45.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 9' ' ' PRO . 1.1 m -122.15 164.73 23.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -74.98 176.12 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -55.07 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -35.92 -65.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t-105 -43.66 -52.18 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.8 t80 -43.23 -49.91 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.75 -41.08 97.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 51.6 t80 -69.24 -31.62 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.54 -44.1 65.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -64.77 -52.2 58.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.24 99.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -69.3 -23.87 63.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.14 -50.26 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.1 -50.25 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 27' ' ' ILE . 4.2 m -58.83 -69.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.14 -22.61 36.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.02 -74.75 0.52 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.7 mp -59.89 -38.62 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.54 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 42.6 mt -68.55 -24.91 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.69 -70.16 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -41.83 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 26' ' ' ILE . 15.5 t -83.74 -18.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CA ' ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER 73.88 -63.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.1 -59.49 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . 146.79 -12.34 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER 89.99 148.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -78.57 -43.68 1.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.02 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.8 t -50.04 -62.33 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' HD23 ' A' ' 38' ' ' LEU . 8.3 tt -53.8 -42.8 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -52.5 -40.91 62.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.99 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.34 -39.5 94.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tp -66.75 -60.82 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -62.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.7 t80 -62.79 -20.84 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.49 -63.58 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.9 p -66.93 -44.95 79.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.413 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 2.4 tm? -56.02 -29.35 60.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -77.17 -70.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.96 -55.47 5.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . 8.8 mp -67.03 -44.38 80.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -44.61 -47.64 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.2 29.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.4 t80 -111.18 43.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -176.66 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.31 134.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t 167.08 -44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.85 103.5 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.676 ' O ' HG22 ' A' ' 62' ' ' VAL . 1.1 m-20 63.33 126.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.543 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.97 -20.48 16.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -65.47 -84.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -32.81 -66.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 58' ' ' ASP . 16.3 m -39.58 -55.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.497 ' N ' HG23 ' A' ' 62' ' ' VAL . 60.7 t90 -50.01 -50.65 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 22.0 t -51.4 -39.46 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.32 64.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.79 -48.03 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.78 78.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.6 m -53.84 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -63.99 -19.66 65.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.5 -56.1 26.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 m -79.81 -42.32 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -58.14 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.61 -28.8 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.1 -60.43 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.247 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -64.86 -49.28 71.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.73 -60.57 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -48.52 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.85 -49.97 8.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.64 -57.29 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 100' ' ' VAL . 3.0 t -54.24 -30.16 49.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -36.13 69.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.21 -62.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.1 mtt -50.41 -44.43 55.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 96' ' ' SER . 3.9 t -56.49 -54.87 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.94 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.0 -61.18 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.42 -26.02 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . 0.409 ' C ' HG23 ' A' ' 105' ' ' VAL . . . -63.96 -66.26 2.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 104' ' ' GLY . 96.7 t -152.15 85.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.93 154.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 146.22 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 109' ' ' ASN . 90.0 t80 -177.8 169.04 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.2 t-20 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' SER . 40.6 p 38.0 80.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 85.7 -47.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.6 -59.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.513 ' O ' HG13 ' A' ' 8' ' ' VAL . 3.6 m -125.4 -45.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 7' ' ' VAL . 34.9 m -157.53 157.8 30.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -75.03 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.88 -65.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -39.15 -62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t90 -47.03 -48.14 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -47.23 -45.37 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.13 75.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -75.13 -38.82 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.77 -53.35 48.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.27 78.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -61.46 -26.62 68.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -70.79 -54.95 9.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -50.88 -57.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 26' ' ' ILE . . . -59.44 -43.93 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 4.1 t -52.72 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -52.34 -18.66 5.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.2 -75.38 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 22' ' ' ALA . 9.1 tt -73.53 -38.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.512 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 50.9 mt -63.93 -28.0 44.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -71.39 1.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -44.9 -44.91 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 38.5 t -84.08 -27.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.53 -50.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.88 -167.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.23 -7.64 81.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -52.74 121.01 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.608 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.5 t -82.19 -46.08 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 -56.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -41.15 -61.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.5 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.03 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.82 73.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -59.11 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -63.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.64 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 4.3 t80 -65.1 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.04 -69.81 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -63.73 -39.8 95.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.4 tp -61.22 -30.04 70.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -73.01 -64.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.58 6.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 38.3 mt -57.34 -46.73 83.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -53.3 -40.53 60.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.01 -26.37 61.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 65' ' ' PHE . 56.0 t80 -84.99 -60.14 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.677 ' HA ' HG23 ' A' ' 62' ' ' VAL . 7.4 mt-30 -84.47 8.22 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER 68.11 -59.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 87.91 19.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -149.54 -53.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.4 129.36 26.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.547 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -74.96 -22.63 14.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.31 -69.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' ARG . 24.2 m-80 -37.02 -62.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' A' ' 54' ' ' GLN . 3.6 p -43.43 -53.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -46.46 -49.64 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 60' ' ' ARG . 16.5 t -53.7 -44.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 3.4 m-85 -71.47 -24.16 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.75 -53.34 48.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.5 84.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -55.69 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.598 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.3 m -64.08 -17.25 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.4 -52.19 54.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 m -81.93 -45.3 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.411 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -54.72 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ILE . . . -47.84 -27.89 5.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.755 ' O ' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 3.6 tt -72.13 -60.74 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.2 tp -62.89 -34.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.88 -49.65 12.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.74 -55.08 15.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.8 m -56.41 -30.71 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.92 -52.74 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -59.52 -44.46 93.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 96' ' ' SER . 42.9 t -58.29 -56.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.23 -36.52 71.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -59.88 -52.74 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.504 HG22 ' CE1' ' A' ' 108' ' ' PHE . 70.5 t -56.94 -36.97 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.34 -78.68 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 -177.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m 61.05 148.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.39 149.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.504 ' CE1' HG22 ' A' ' 103' ' ' VAL . 6.3 t80 -157.18 149.14 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t30 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -43.37 164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 7' ' ' VAL . 55.9 p -38.33 -57.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 54.95 28.75 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 5' ' ' SER . 4.1 p -158.1 -49.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 7' ' ' VAL . 20.0 m -133.12 151.52 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.95 43.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -46.19 -57.19 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -40.28 -60.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -45.53 -49.83 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.07 -46.7 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -34.89 91.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.64 -33.92 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.51 46.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.54 -49.42 76.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.12 95.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -70.09 -23.09 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -71.17 -60.74 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 22' ' ' ALA . 10.5 p -53.39 -51.23 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -58.45 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.572 ' CA ' HD12 ' A' ' 27' ' ' ILE . 8.6 m -49.03 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.56 -24.74 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -71.34 0.78 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.707 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.8 mp -75.76 -48.14 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.572 HD12 ' CA ' ' A' ' 23' ' ' SER . 55.9 mt -54.54 -28.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.78 -64.48 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -40.8 -52.16 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 26' ' ' ILE . 9.7 p -84.14 -23.78 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 18.8 tttt 87.43 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.87 171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 -0.77 21.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.485 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.42 118.72 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.976 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.93 -44.71 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.03 -53.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -48.49 -56.34 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -54.89 -49.49 71.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.0 -33.64 57.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.3 -35.2 73.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.37 -32.61 75.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -60.26 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -63.17 -19.19 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.69 -68.77 1.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -41.17 98.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -59.4 -38.33 80.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -67.59 -53.59 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -58.93 -69.94 1.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -53.33 -59.17 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -46.28 -67.57 1.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -42.55 -32.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -69.99 85.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 27.9 mm-40 65.93 24.05 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.505 ' CA ' ' O ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 73.27 170.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -107.54 -15.82 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . 1.3 tt0 -100.39 -60.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' VAL . 31.1 t0 -39.62 113.61 0.88 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -70.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 2.8 m120 -43.15 -52.61 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' ASP . 2.5 t -44.98 -50.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -53.02 -47.18 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.46 -34.11 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.09 -26.61 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -58.14 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -32.42 73.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.16 -66.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -48.77 -44.24 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.2 7.71 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.8 m -61.89 -18.0 58.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.56 -29.45 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -30.57 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.08 -54.59 2.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.993 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -71.69 -68.82 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 tp -63.85 -40.24 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.39 -69.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.39 21.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.13 -59.38 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.29 -29.86 35.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tp -72.98 -37.82 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.38 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 ttp -57.36 -43.73 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.3 t -59.51 -46.09 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 105' ' ' VAL . . . -67.54 -29.93 69.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 108' ' ' PHE . 6.0 ttmt -63.07 -46.04 89.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 100' ' ' VAL . 12.8 p -71.61 -31.27 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.25 -46.59 86.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.638 HG13 ' O ' ' A' ' 101' ' ' ALA . 13.2 m -71.35 -156.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' MET . 1.7 m -121.41 177.64 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 80.21 -72.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 67.5 m-85 -76.76 140.73 40.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.998 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 5' ' ' SER . 77.7 m 53.79 170.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 4' ' ' THR . 48.4 m -74.75 57.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -13.01 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 8' ' ' VAL . 27.4 m -112.15 -52.24 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' HD2' ' A' ' 9' ' ' PRO . 3.5 p -178.41 141.82 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.04 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 11' ' ' HIS . 1.7 tm? -65.52 -75.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.2 -62.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.597 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.492 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -44.5 -58.05 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 t80 -40.86 -45.31 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.68 93.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.422 1.076 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.29 -45.64 83.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -38.96 97.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.23 -56.45 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.07 74.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -71.31 -26.42 62.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.42 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 22' ' ' ALA . 32.7 m -51.55 -52.07 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.491 ' N ' HG23 ' A' ' 21' ' ' VAL . . . -60.44 -48.47 81.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.791 ' OG ' HD12 ' A' ' 27' ' ' ILE . 12.7 t -53.28 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -44.57 -27.2 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.45 -77.96 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mp -68.56 -46.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.791 HD12 ' OG ' ' A' ' 23' ' ' SER . 58.7 mt -55.42 -28.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.73 -75.06 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -45.49 -42.41 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.5 t -83.72 -28.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.0 tttt 84.7 -59.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.74 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.74 7.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.9 m -68.07 124.71 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.697 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 58.2 t -78.2 -40.64 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 14.3 m -55.34 -56.48 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.03 -49.58 71.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.4 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -71.03 -34.57 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.69 80.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.91 -58.58 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.99 -64.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 27.8 m-85 -65.08 -18.01 64.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.39 -71.0 0.87 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 p -64.89 -36.29 83.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 5.8 tt -59.68 -42.87 93.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -64.53 -54.87 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.45 -75.01 0.29 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -47.55 -57.79 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -47.04 -68.93 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -41.32 -30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 65' ' ' PHE . 4.4 m-85 -115.0 46.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.706 ' CD ' HG21 ' A' ' 62' ' ' VAL . 3.7 tt0 -173.91 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER 82.78 1.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 38.16 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . 3.1 mt-30 -154.46 -86.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.593 ' O ' HG12 ' A' ' 62' ' ' VAL . 2.5 t70 -52.28 115.44 6.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.539 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.99 -32.9 5.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' ASN . 25.6 ttm-85 -61.87 -68.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ARG . 2.3 m120 -39.21 -67.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.706 HG21 ' CD ' ' A' ' 54' ' ' GLN . 3.7 p -40.36 -47.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -55.25 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 107.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.6 t -52.04 -37.89 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.51 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.7 OUTLIER -70.42 -32.99 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.402 ' O ' ' HA3' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.75 -27.39 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.01 -56.99 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 65' ' ' PHE . 1.7 t -50.26 -56.31 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 13.2 t -73.84 -24.0 59.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 66' ' ' LEU . . . -61.31 -41.58 99.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.1 p -85.3 -49.57 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -52.34 -45.1 65.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -85.02 -36.5 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.01 -46.96 20.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.344 179.955 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.55 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.3 -73.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.97 -46.45 9.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -29.27 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -68.24 -40.23 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.6 -45.01 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -54.54 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 97' ' ' LEU . 11.0 p -57.93 -44.04 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.3 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -55.45 -48.0 75.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.93 -44.03 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.45 -76.27 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.01 164.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.4 108.05 19.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.46 179.01 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -44.01 61.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.977 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.598 ' O ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 3' ' ' ASP . 13.6 t 45.97 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -98.42 131.51 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.7 59.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 46.5 t 67.68 58.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.8 p -175.52 112.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 164.08 34.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.2 mp -49.08 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 5.1 m80 -38.33 -64.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.1 t-105 -44.63 -49.93 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.6 t80 -45.02 -48.85 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.92 -37.28 94.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 t80 -69.93 -32.08 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -46.67 39.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -62.09 -52.27 64.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.3 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -71.76 -23.77 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -55.21 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 22' ' ' ALA . 30.0 m -56.89 -48.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' VAL . . . -62.73 -59.76 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 43.8 m -45.93 -68.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -27.59 34.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -72.06 0.69 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 27' ' ' ILE . 3.0 tt -65.83 -50.33 71.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.801 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.517 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 28.8 mm -57.36 -22.84 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.46 -74.5 0.94 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.61 -39.79 51.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 70.6 t -83.46 -25.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.74 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.78 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.73 44.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.74 38.6 3.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.834 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -81.91 -147.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 177.64 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -62.72 -54.99 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.61 -53.25 49.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -29.08 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -73.41 -30.18 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.83 -34.05 53.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.13 -58.01 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -56.27 -56.98 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 29.7 t80 -63.4 -23.66 67.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.1 -58.67 10.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.447 ' HB2' HD12 ' A' ' 50' ' ' LEU . 89.3 p -62.72 -46.91 85.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.56 -40.05 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -66.84 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -46.51 -65.71 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' TYR . 14.8 mt -55.19 -61.37 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LEU . . . -39.95 -76.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.147 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -38.8 -38.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 3.1 t80 -105.09 63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.594 HE21 HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER 159.26 -59.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CA ' HG11 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -166.53 -137.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 3.0 m 37.88 41.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' SER . 1.0 OUTLIER 160.52 83.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.792 ' O ' HG22 ' A' ' 62' ' ' VAL . 1.7 m-20 61.75 123.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -75.05 -34.41 3.8 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -68.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -39.52 -64.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 58' ' ' ASP . 15.3 m -43.56 -47.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 19.8 t90 -48.56 -52.01 24.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.0 t -54.62 -38.62 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.89 -24.76 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.594 HD11 HE21 ' A' ' 54' ' ' GLN . 3.8 tp -68.1 -47.42 68.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.83 -35.74 67.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 43.6 m -57.49 -69.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -20.83 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.78 -59.38 10.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 m -81.1 -45.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' HG22 ' A' ' 75' ' ' ILE . 12.4 tp -44.16 -58.29 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -32.67 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.48 -37.44 12.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 72' ' ' LEU . 7.0 tt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -57.04 -66.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.44 -60.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.71 -61.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.38 -49.22 61.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.15 -57.22 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 100' ' ' VAL . 54.3 p -58.49 -31.8 68.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.83 -29.23 66.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.1 mm? -73.25 -56.41 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -43.61 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 96' ' ' SER . 61.3 t -63.39 -53.17 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.27 -42.26 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -60.12 -60.52 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.13 -27.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.7 -85.09 0.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.3 t -137.39 113.36 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.33 162.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 101.49 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.08 -48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 2.8 p30 . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 22.0 p -50.76 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.6 m -39.91 132.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.9 t -37.52 -66.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.73 -52.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -41.16 122.54 2.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.97 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.56 -54.69 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -61.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.615 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.454 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 6.8 m95 -47.73 -47.93 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -48.0 -44.36 30.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.77 70.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 t80 -73.78 -29.88 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -77.45 -43.25 16.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.28 -46.9 75.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.767 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.42 -49.59 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -63.23 -24.44 67.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 1.9 tp -72.05 -49.25 38.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.48 -56.89 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.74 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -51.74 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.81 -17.2 62.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.67 -70.88 0.92 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.951 ' O ' HG22 ' A' ' 30' ' ' VAL . 53.2 mt -69.43 -45.98 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 23' ' ' SER . 24.6 mt -59.88 -25.02 31.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.5 -68.36 1.54 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.18 -40.94 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 26' ' ' ILE . 4.7 m -84.02 -25.12 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.731 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 5.5 tttt 90.05 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.04 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -36.95 -38.61 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.852 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER 61.98 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.49 -56.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.95 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -62.23 -52.74 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -48.22 -54.2 14.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -50.74 -43.49 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -69.97 -31.32 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' SER . . . -64.21 -37.63 94.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -57.34 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 1.1 tp -47.89 -70.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -62.37 -22.38 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -52.99 -73.41 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -69.59 -42.9 73.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 0.774 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 47' ' ' LEU . 2.4 tt -49.56 -42.15 43.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -72.56 -72.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -40.57 -67.0 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' GLN . 3.0 mm? -60.05 -39.66 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -38.35 -59.55 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.83 -13.56 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.606 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 m-85 -118.35 49.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.7 tt0 179.11 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.99 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.29 41.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.05 84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.8 OUTLIER 63.97 130.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.51 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.85 -67.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -53.59 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 58' ' ' ASP . 40.8 t -44.84 -48.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -47.09 77.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.83 -31.81 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.606 ' CZ ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -79.75 -27.15 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -49.53 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.75 65.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -51.59 -70.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 11.1 t -67.58 -23.65 65.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.45 -58.52 10.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -81.96 -48.14 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.68 -56.86 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -79.25 -34.25 42.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.27 -38.72 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.6 mt . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 -179.977 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -72.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -44.47 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.26 -63.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.03 -48.85 51.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.55 -54.68 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 100' ' ' VAL . 81.2 p -60.31 -28.33 68.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.03 -27.17 60.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -46.84 29.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -45.66 91.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 96' ' ' SER . 53.5 t -64.46 -48.37 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.99 57.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -50.42 -57.5 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -43.4 -52.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.89 -81.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 106' ' ' SER . 0.9 OUTLIER -123.6 175.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.474 ' H ' HG22 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 74.45 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.57 141.52 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 20.2 p90 -169.99 121.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.2 t30 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 5' ' ' SER . 2.3 m 50.1 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.524 ' H ' HG22 ' A' ' 4' ' ' THR . 2.3 m -109.93 64.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.1 36.51 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 7' ' ' VAL . 55.3 t 65.72 40.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 5' ' ' SER . 40.3 t -121.62 125.12 26.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.78 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 3.5 tt -47.38 -55.48 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -40.6 -60.7 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -46.12 -48.43 17.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 107.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -48.77 -46.05 40.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.25 76.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 t80 -71.66 -39.23 70.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -39.79 64.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.28 -55.49 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.01 98.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -66.26 -26.72 67.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.25 -50.0 44.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -57.91 -59.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -51.01 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.27 -20.57 22.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -69.06 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.57 -53.38 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.536 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.2 mt -55.36 -23.27 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.08 -79.43 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.7 -39.11 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 33' ' ' GLY . 18.9 t -83.64 -29.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.0 tttt 88.51 -51.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.51 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.525 ' H ' HG12 ' A' ' 30' ' ' VAL . . . -35.87 -58.23 0.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.849 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER 86.09 81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 171.94 -56.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tp -48.73 -56.94 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.12 -41.25 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.52 -35.95 75.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . -59.95 -36.7 91.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -57.42 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -50.76 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 57.8 m-85 -65.38 -19.93 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -58.18 -74.59 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.47 -34.7 74.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' LEU . 8.7 tt -57.72 -47.51 82.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.81 -69.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.12 -71.85 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.648 ' HG ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -47.43 -47.04 27.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -43.12 -72.88 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -49.73 -27.56 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -71.46 -43.19 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG3' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER 168.18 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.648 HD23 ' HG ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -39.82 -31.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER 163.33 114.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.678 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 169.32 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 62.96 146.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 18.2 Cg_endo -74.96 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -60.87 -59.68 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.989 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.8 m-20 -41.34 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 57' ' ' GLN . 28.5 m -39.76 -38.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.13 -59.18 4.87 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.989 HG22 ' O ' ' A' ' 61' ' ' ASN . 6.1 m -53.64 -26.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -80.32 -32.07 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.574 HD23 ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -65.94 -45.3 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.56 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -50.13 -69.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.553 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 60.6 p -68.79 -20.41 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.8 11.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.9 p -81.47 -44.26 17.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.53 -58.5 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -77.65 -31.33 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.95 -44.38 18.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -60.32 -70.06 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 93' ' ' ALA . 2.1 tp -71.17 -51.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -53.79 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.29 46.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.34 -55.78 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -27.93 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -27.64 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -44.52 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.755 ' O ' HG23 ' A' ' 103' ' ' VAL . 39.9 mtp -65.4 -40.22 93.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.27 -58.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.81 21.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -46.93 -60.72 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 99' ' ' MET . 55.8 t -43.7 -49.72 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.32 -72.06 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 106' ' ' SER . 79.6 t -49.86 -95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.514 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 174.58 92.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.72 145.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 t80 56.6 111.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.969 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.0 m 60.4 144.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -48.91 169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.9 p -69.87 69.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' VAL . 37.6 t 68.82 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' SER . 26.8 m -39.56 121.98 1.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.7 mm? -54.1 -54.42 39.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.39 -65.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.634 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -46.13 -48.24 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -46.74 -47.41 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.63 89.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.8 m-85 -73.2 -29.53 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.526 ' O ' HD13 ' A' ' 20' ' ' LEU . . . -73.1 -49.24 16.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -64.23 -49.11 73.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.36 99.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -70.28 -22.74 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 16' ' ' GLY . 1.3 mp -70.68 -49.54 46.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.02 -52.44 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 -57.51 12.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 27' ' ' ILE . 33.8 m -45.16 -71.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -49.01 -29.63 8.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -75.35 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.2 mt -58.91 -55.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -54.78 -24.21 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.53 -80.64 0.66 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -46.49 -39.04 10.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 15.4 t -82.73 -31.66 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 2.1 tttp 87.36 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.22 139.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 -3.02 5.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -62.77 122.41 15.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.898 HG22 ' HD3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -76.49 -34.18 1.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.898 ' HD3' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.2 m -56.45 -57.87 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -50.0 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.84 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.89 -34.12 71.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -36.24 77.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -61.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.3 mp -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -57.67 -24.66 57.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.92 3.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 20.0 p -67.6 -21.11 65.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.484 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -60.65 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.657 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -64.95 -53.91 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.09 -75.11 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -53.35 -61.4 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -42.65 -72.64 0.28 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 48' ' ' ALA . . . -49.09 -26.95 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t80 -105.24 27.8 7.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.484 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 tt0 -157.55 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HG ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 171.13 73.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.69 30.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.9 tt0 -176.88 97.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 57' ' ' GLN . 51.8 m-20 61.49 130.06 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -63.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -56.43 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 57' ' ' GLN . 2.2 t -45.62 -47.35 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.81 -48.28 67.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.07 -35.03 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -26.34 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -47.03 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 71' ' ' THR . . . -67.64 -44.65 77.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 m -53.35 -63.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -60.78 -29.24 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.95 20.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 67' ' ' ALA . 20.7 p -69.01 -49.32 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.87 -41.33 32.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.46 66.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -33.89 30.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 75' ' ' ILE . 32.9 mm . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 110.961 -0.856 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -67.71 -46.06 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.537 HG23 ' N ' ' A' ' 93' ' ' ALA . 2.5 tt -62.42 -56.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.537 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -50.54 -71.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.92 -47.28 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -59.07 3.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -28.01 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -71.25 -33.25 69.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.16 -54.31 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.827 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -52.53 -43.98 65.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.94 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.83 -50.75 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.03 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' VAL . 6.6 mttt -56.28 -58.78 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 99' ' ' MET . 70.9 t -39.72 -64.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.33 -58.77 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 106' ' ' SER . 9.8 p -170.11 168.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 105' ' ' VAL . 0.2 OUTLIER 84.98 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.3 174.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -138.36 156.69 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 4' ' ' THR . 10.6 t -65.29 84.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p 49.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -60.5 -17.85 47.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.3 t -138.75 130.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 77.39 135.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.02 163.17 35.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -48.12 -55.37 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 38.2 m-70 -38.39 -62.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -45.88 -50.22 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.8 t80 -45.71 -46.83 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.52 94.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.559 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 20.9 t80 -69.41 -29.93 67.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.47 -39.18 36.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.0 t80 -66.62 -50.92 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.45 88.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 15' ' ' PHE . . . -59.84 -43.1 94.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.08 89.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 17' ' ' TYR . 84.0 t -50.7 -66.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.43 -48.01 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.52 ' CB ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -48.31 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -46.2 -22.3 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -77.62 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 mm -73.62 -39.8 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' A' ' 23' ' ' SER . 59.9 mt -61.15 -31.76 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -73.91 -58.4 4.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.32 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 28.0 t -84.23 -17.85 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 90.27 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.07 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.78 45.54 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.761 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.2 t -91.9 -143.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.0 -53.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -75.0 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 33.6 t -59.95 -55.54 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -50.81 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.62 -34.27 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -67.95 -36.33 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -34.28 81.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -59.47 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -66.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.685 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 34.6 m-85 -59.11 -18.9 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.92 -63.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -38.78 87.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' HD23 ' A' ' 47' ' ' LEU . 3.8 tt -71.01 -22.17 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -79.38 -51.0 9.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -64.16 -49.73 64.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -71.26 -53.49 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -54.24 -44.11 75.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 48' ' ' ALA . . . -75.32 -23.37 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -49.08 -46.65 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' CB ' ' A' ' 61' ' ' ASN . 7.4 mm-40 -158.93 34.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER 67.29 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.49 1.83 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.82 -57.47 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.719 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.2 t70 -66.21 122.5 81.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.518 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 7.4 m-80 -43.26 -51.03 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 58' ' ' ASP . 52.6 t -45.06 -50.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -46.36 71.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 68' ' ' THR . 30.3 t -58.1 -32.31 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -75.28 -27.48 59.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.38 -55.4 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 1.8 m -59.8 -67.77 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -53.7 -34.83 60.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.81 -61.79 7.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.5 m -62.67 -48.21 80.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 tp -42.1 -52.54 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' THR . . . -57.29 -60.77 8.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.361 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 5.1 mp -60.52 -33.25 72.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mm -62.36 -58.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.45 -66.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.81 -48.19 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.28 -63.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -54.01 -27.75 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -69.87 -39.34 76.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -49.56 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mtt -52.7 -54.43 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 97' ' ' LEU . 10.6 p -59.92 -42.1 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.36 81.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.68 78.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.35 -38.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.88 -61.93 4.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.7 p -173.91 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.48 86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.964 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.15 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 7.1 p90 -178.22 105.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.1 t30 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' THR . 7.6 p-10 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASP . 38.5 m 53.56 169.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.779 ' O ' HG22 ' A' ' 8' ' ' VAL . 49.2 m -100.59 49.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t 66.64 -73.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' SER . 12.4 p -168.39 42.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 5' ' ' SER . 17.2 m -136.14 132.29 19.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.04 157.5 42.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.9 tt -46.43 -54.43 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -40.89 -59.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -46.12 -48.96 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 108.013 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.5 t80 -49.37 -45.57 46.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -33.18 86.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -69.15 -37.39 78.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.87 -41.49 72.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -53.3 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.51 78.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.56 -27.16 62.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.1 -58.9 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 22' ' ' ALA . 7.1 p -54.02 -53.35 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.5 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -55.99 -48.28 76.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -50.72 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.05 -23.43 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -75.17 0.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 30' ' ' VAL . 6.7 pt -73.67 -41.46 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.485 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 34.1 mm -60.16 -29.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.17 -64.6 2.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.11 -49.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 26' ' ' ILE . 2.2 m -83.64 -23.06 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.73 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 87.14 -59.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.17 140.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.87 -3.82 4.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -53.4 131.96 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -79.47 -43.41 1.62 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 13.0 m -51.67 -57.64 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -49.07 73.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.49 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -71.74 -33.37 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.2 -34.7 81.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -59.2 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -49.47 -61.43 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.86 -17.62 64.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -67.73 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 23.4 m -69.49 -33.2 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.3 tm? -62.35 -42.99 99.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.92 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.43 -70.71 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 46' ' ' SER . 7.1 tp -46.35 -49.75 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -50.33 -64.2 3.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.6 -18.27 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.02 -69.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.912 ' HA ' HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -90.25 23.32 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER 27.98 85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -76.18 54.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -156.34 -46.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.748 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -126.38 136.83 29.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.593 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.98 -29.5 8.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.8 mtt180 -63.45 -69.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 76.5 m-20 -39.6 -66.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.912 HG23 ' HA ' ' A' ' 54' ' ' GLN . 2.4 p -40.24 -47.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -55.86 9.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.044 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.6 t -52.93 -37.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.55 67.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -46.68 83.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.11 82.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -58.92 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.89 -54.55 37.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 m -78.62 -41.36 31.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.07 -59.61 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.76 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.45 -57.64 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 0.0 109.267 179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.627 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -71.94 -36.86 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.7 mp -62.58 -69.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -52.65 -60.66 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.12 -50.49 9.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.42 -63.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -52.23 -27.78 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -40.43 64.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.838 HD23 ' NZ ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -69.21 -37.91 78.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -53.13 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 96' ' ' SER . 33.3 m -61.99 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -60.84 -31.9 71.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.838 ' NZ ' HD23 ' A' ' 98' ' ' LEU . 11.4 mttt -67.35 -45.47 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.44 -36.92 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.1 -78.75 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 106' ' ' SER . 95.9 t -86.83 166.76 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . 0.532 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 63.4 166.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -95.66 -25.44 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.426 ' N ' ' HG2' ' A' ' 107' ' ' MET . 33.8 t80 55.89 170.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.1 t-20 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 5' ' ' SER . 0.6 OUTLIER 52.24 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.62 ' N ' HG23 ' A' ' 4' ' ' THR . 11.4 m -38.89 121.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.883 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.7 t -70.01 59.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.759 HG22 ' O ' ' A' ' 6' ' ' SER . 5.9 m 50.86 23.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 6' ' ' SER . 2.4 p 177.66 102.53 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.05 172.73 15.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -53.52 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' HIS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' LEU . 64.9 m80 -30.32 -65.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.494 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -41.41 -59.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t80 -39.26 -49.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -47.29 89.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 m-85 -67.9 -29.12 68.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -49.85 28.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -60.77 -46.45 90.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.01 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.36 -31.91 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -52.07 28.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.23 -59.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.97 -51.87 68.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.493 ' OG ' HD12 ' A' ' 27' ' ' ILE . 10.1 t -49.57 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.43 -26.41 1.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.51 -79.57 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 mm -69.61 -46.5 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.555 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.3 mt -55.17 -26.98 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.17 -75.28 1.02 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -42.54 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.0 t -84.02 -27.3 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.741 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 18.1 tttt 88.01 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 157.15 62.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.48 44.95 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' VAL . 88.7 p -91.29 -123.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 164.09 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.06 -46.67 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 36.8 t -59.43 -56.44 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -50.11 66.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.7 64.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -72.86 -32.37 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.48 -32.84 61.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -59.57 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 4.5 t80 -64.01 -21.13 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.06 -60.65 8.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -46.49 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.757 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 6.2 tp -56.47 -31.46 64.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -70.46 -59.95 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -60.6 -60.91 7.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 54' ' ' GLN . 2.6 mp -57.64 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.37 -47.33 16.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -54.71 -42.79 71.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 13.4 p90 -150.29 85.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 179.18 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.72 -77.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.33 168.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 73.31 -177.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.49 131.72 1.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -69.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.89 -57.85 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 54' ' ' GLN . 2.1 t -44.69 -46.73 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.35 67.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.72 -32.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -27.3 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.11 -47.5 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.64 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -51.87 -69.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' SER . . . . . 0.537 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 3.7 t -67.72 -21.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.69 -57.17 18.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 m -83.12 -44.84 14.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.8 tp -49.92 -51.76 38.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -84.53 -29.58 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.9 -52.04 12.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -71.83 -61.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -63.17 -52.15 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -60.67 -66.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.05 -51.45 8.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.41 -56.53 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . 0.476 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -53.74 -35.03 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.4 tt -72.4 -31.94 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.41 -30.92 62.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.572 ' O ' HG23 ' A' ' 103' ' ' VAL . 12.4 mtt -71.2 -48.47 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 96' ' ' SER . 9.9 p -73.35 -32.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 105' ' ' VAL . . . -70.39 -44.77 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -61.5 -49.74 75.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 99' ' ' MET . 56.1 t -54.41 -47.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.43 -33.18 84.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 101' ' ' ALA . 42.9 t -96.98 46.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 58.09 -95.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 mmt 40.01 83.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.35 124.44 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.979 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.481 0.181 . . . . 0.0 111.038 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -139.27 140.4 37.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 4' ' ' THR . 61.8 m-20 -108.06 159.13 16.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 3' ' ' ASP . 43.5 m -38.82 -65.41 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.429 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 6' ' ' SER . 15.6 p -153.62 111.58 3.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.564 1.165 . . . . 0.0 109.983 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 5' ' ' SER . 66.8 m -38.13 -55.85 1.24 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.986 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.5 t -138.11 -53.44 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.414 ' O ' ' CB ' ' A' ' 5' ' ' SER . 42.6 t -40.59 105.29 0.37 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.16 16.9 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.527 1.803 . . . . 0.0 110.951 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.8 mt -57.57 -64.26 0.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.145 . . . . 0.0 109.315 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.412 ' C ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t-80 -38.61 -63.12 0.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.638 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -46.67 -48.98 19.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 108.014 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.3 t80 -46.43 -45.63 18.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 111.007 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.85 -36.04 90.51 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.522 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 1.2 m-85 -69.31 -35.15 75.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.5 0.764 . . . . 0.0 110.99 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.16 -41.97 52.18 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 110.998 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.05 -53.45 53.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 0.783 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.98 -35.49 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.522 ' HB2' ' O ' ' A' ' 15' ' ' PHE . . . -67.0 -30.11 70.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -44.42 59.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 44.6 t -57.3 -55.07 22.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.97 -52.68 58.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.327 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.662 ' O ' HG22 ' A' ' 27' ' ' ILE . 27.9 t -45.8 -71.54 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.009 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 27' ' ' ILE . . . -53.42 -30.92 42.3 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.479 1.112 . . . . 0.0 111.004 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.77 -77.93 0.15 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.465 HD13 ' HA ' ' A' ' 26' ' ' ILE . 26.8 mm -61.92 -56.04 20.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 0.748 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.662 HG22 ' O ' ' A' ' 23' ' ' SER . 0.6 OUTLIER -49.99 -25.83 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.133 . . . . 0.0 109.301 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.412 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.27 -79.34 0.71 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 111.046 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 15.9 m-85 -45.13 -42.62 9.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 0.0 111.006 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 89.5 t -80.17 -31.91 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.676 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 2.3 ttmm 87.46 -53.41 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 109.278 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.676 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 164.36 -163.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 88.49 -15.4 56.89 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.477 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -41.96 105.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 0.771 . . . . 0.0 109.999 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.572 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -77.77 -48.75 2.17 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.572 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.01 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.484 1.781 . . . . 0.0 110.995 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.477 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -56.66 -58.93 5.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.978 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.0 tt -53.25 -49.75 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.04 -34.03 63.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.38 -33.55 71.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.43 -33.8 68.16 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.15 -57.18 5.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 0.771 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.54 -63.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.649 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.2 t80 -63.11 -19.15 64.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.439 1.087 . . . . 0.0 110.997 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.62 -64.54 3.64 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.0 p -63.56 -43.24 97.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 0.793 . . . . 0.0 110.003 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.403 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.2 mp -60.58 -32.38 71.48 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.569 1.168 . . . . 0.0 109.307 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.649 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -67.64 -58.5 4.56 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.274 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.41 -63.26 5.01 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.477 1.111 . . . . 0.0 110.968 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 9.8 mp -54.73 -61.3 2.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 0.787 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.38 -46.12 22.32 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -57.01 -39.67 75.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.49 0.759 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.564 ' HB3' ' CD2' ' A' ' 65' ' ' PHE . 2.6 p90 -149.7 79.07 1.37 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 111.023 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.481 ' N ' ' O ' ' A' ' 50' ' ' LEU . 56.9 tp60 -172.74 -74.74 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.1 tp -176.36 100.66 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t 179.55 -47.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.132 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.443 ' O ' HG13 ' A' ' 62' ' ' VAL . 7.9 tp60 -112.95 106.3 14.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.749 ' O ' HG22 ' A' ' 62' ' ' VAL . 73.0 m-20 62.18 126.9 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -32.3 5.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.035 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 64' ' ' VAL . 0.4 OUTLIER -67.69 -70.32 0.26 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.342 179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' C ' ' O ' ' A' ' 60' ' ' ARG . 3.6 m120 -38.62 -63.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.749 HG22 ' O ' ' A' ' 58' ' ' ASP . 21.1 m -45.04 -49.16 2.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.424 ' N ' HG23 ' A' ' 62' ' ' VAL . 17.2 t90 -52.74 -47.28 67.52 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' ARG . 24.2 t -56.03 -35.6 41.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CD2' ' HB3' ' A' ' 53' ' ' TYR . 0.9 OUTLIER -76.3 -25.53 54.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 111.009 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.37 -47.67 63.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.148 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.15 -37.86 72.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 16.5 m -56.01 -67.88 0.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.41 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.1 OUTLIER -68.3 -22.15 64.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.68 -51.22 60.25 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.553 1.158 . . . . 0.0 111.032 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.5 m -80.01 -48.83 12.71 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 0.764 . . . . 0.0 110.417 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.18 -56.11 12.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -75.27 -32.43 61.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.28 -46.1 21.65 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -41.42 -40.45 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.548 0.793 . . . . 0.0 109.326 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.17 -172.78 2.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.976 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -126.68 174.46 18.09 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 69.51 -66.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 0.771 . . . . 0.0 110.965 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 2.6 ttt180 -170.73 -58.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.3 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 46.8 t80 47.47 93.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 12.9 p90 -134.84 148.92 50.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.41 ' O ' ' CB ' ' A' ' 83' ' ' SER . 5.2 p-80 -40.38 153.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.609 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 5.1 p 165.66 57.72 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.49 1.119 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.73 88.05 0.1 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.488 1.118 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.542 ' C ' ' CG ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -179.02 -39.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.542 ' CG ' ' C ' ' A' ' 85' ' ' LYS . 14.4 p90 39.91 31.91 0.1 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.495 1.122 . . . . 0.0 110.966 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.488 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -77.78 -51.55 1.77 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.954 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -74.94 -85.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.45 1.763 . . . . 0.0 111.034 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.8 -62.91 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.269 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 109.03 99.7 2.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.113 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 4.3 tt -69.14 -69.5 0.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 0.777 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -41.92 92.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.541 1.151 . . . . 0.0 109.27 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.49 -72.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.85 -52.52 9.56 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.486 1.116 . . . . 0.0 111.002 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.43 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -54.03 14.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 0.752 . . . . 0.0 109.27 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.574 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.6 OUTLIER -54.61 -35.48 63.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.1 tt -69.9 -32.15 70.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.79 -55.17 12.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.1 mtt -55.58 -43.18 75.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 96' ' ' SER . 35.6 t -58.84 -54.2 37.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.24 -34.47 70.48 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -60.1 -60.71 3.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 100' ' ' VAL . 12.5 p -59.99 -23.02 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.294 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -71.02 -78.11 0.46 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.434 ' O ' HG23 ' A' ' 105' ' ' VAL . 15.8 m -139.88 91.35 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.473 0.749 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 178.9 140.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 110.024 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 6.3 mtt -58.12 93.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -147.02 150.12 34.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 6.1 m-80 -149.11 119.98 7.62 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.334 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.7 155.18 0.5 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.327 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 87.7 1.3 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.535 1.808 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 109.608 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.33 0 CA-C-O 120.455 0.169 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -91.98 -67.28 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.546 1.154 . . . . 0.0 110.294 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.55 174.61 0.28 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.507 1.13 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.434 ' O ' ' N ' ' A' ' 6' ' ' SER . 3.8 p -39.17 147.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -61.25 82.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.996 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 4' ' ' THR . 73.2 p -59.99 -45.13 93.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 109.983 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 87.0 t -74.96 -74.67 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 83.8 t -51.63 113.35 3.96 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.145 . . . . 0.0 109.296 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 153.54 41.77 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.472 1.775 . . . . 0.0 111.001 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.5 -57.25 4.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.337 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 1.5 t60 -39.47 -61.0 0.86 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 0.0 109.599 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.412 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 5.4 m95 -45.11 -50.32 11.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 108.033 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.485 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -46.93 -47.3 21.7 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 111.015 179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.37 -34.45 89.39 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.5 m-85 -70.66 -35.59 72.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.763 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.548 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -69.16 -46.99 55.93 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 0.0 111.003 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -61.69 -51.21 69.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.12 -47.29 80.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -60.28 -27.54 67.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.548 HD23 ' O ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -69.47 -56.23 7.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.276 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 75.9 t -50.21 -58.98 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.41 -47.01 82.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.6 m -50.22 -75.48 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 110.061 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -54.64 -18.64 11.17 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.88 -75.28 0.4 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 pt -68.58 -37.26 77.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.441 0.73 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.504 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.9 mm -66.69 -27.27 39.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.33 -68.98 1.45 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.454 1.096 . . . . 0.0 110.995 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -48.93 -43.7 39.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.962 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 46.0 t -83.87 -21.79 8.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.471 1.107 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.71 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.5 ttmt 80.7 -56.74 0.32 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.112 . . . . 0.0 109.306 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.71 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 162.18 -166.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 84.04 -10.56 60.24 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.549 1.156 . . . . 0.0 111.033 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.481 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -45.19 120.13 2.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 0.752 . . . . 0.0 110.037 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.574 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.9 OUTLIER -80.94 -48.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.354 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.574 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.0 Cg_endo -75.09 -53.73 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.486 1.782 . . . . 0.0 110.976 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.481 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.1 OUTLIER -44.5 -64.36 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 110.022 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.3 tp -54.12 -46.85 72.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 109.308 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.487 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -51.32 -36.54 43.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.547 1.155 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.54 -36.12 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.321 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.16 -34.08 88.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.424 1.077 . . . . 0.0 111.011 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -72.24 -61.91 1.63 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 0.756 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 mp -51.55 -62.15 1.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.474 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 6.9 t80 -62.48 -25.04 67.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 111.04 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.88 -64.3 4.53 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.528 1.143 . . . . 0.0 111.039 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.505 ' HB2' HD13 ' A' ' 50' ' ' LEU . 71.3 p -65.16 -53.83 39.08 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 0.768 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.459 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -46.28 -32.57 3.18 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -72.99 -71.59 0.29 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.2 -61.42 5.84 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.505 HD13 ' HB2' ' A' ' 46' ' ' SER . 0.4 OUTLIER -55.9 -46.48 78.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 0.773 . . . . 0.0 109.357 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.459 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.64 -52.91 18.78 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.482 1.114 . . . . 0.0 110.965 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.6 -21.25 61.88 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 0.772 . . . . 0.0 109.327 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 24.6 t80 -78.83 -58.05 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.0 OUTLIER -89.86 -67.25 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.288 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.5 OUTLIER 174.77 150.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.334 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.528 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.6 m 157.62 -27.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.995 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.18 118.63 8.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.449 ' O ' HG23 ' A' ' 62' ' ' VAL . 89.5 m-20 60.73 112.08 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -40.18 0.98 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.506 1.793 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -74.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 110.327 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 -43.07 -54.64 4.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 58' ' ' ASP . 3.2 t -44.38 -49.09 2.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.105 . . . . 0.0 109.315 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.7 t90 -53.33 -48.38 68.52 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.3 t -54.65 -34.61 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.147 . . . . 0.0 109.321 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -76.46 -28.22 56.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.79 -49.72 67.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.02 -49.75 64.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 7.4 m -45.42 -66.63 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.6 t -64.91 -26.58 68.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.29 19.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.487 1.117 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.98 -38.45 45.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 0.773 . . . . 0.0 110.395 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.15 -35.38 62.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 109.26 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.403 ' O ' ' O ' ' A' ' 76' ' ' MET . . . -82.21 -47.57 12.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -32.17 6.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.402 ' HA ' HD13 ' A' ' 75' ' ' ILE . 24.8 mm -70.1 -54.41 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 0.781 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 73' ' ' ALA . 23.6 ptp -147.32 164.11 34.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 111.0 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -102.58 -137.84 9.75 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.5 173.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 0.767 . . . . 0.0 110.984 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 70.15 139.45 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 2.3 t80 60.77 110.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.3 p90 -146.42 51.27 1.13 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 111.04 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.7 m170 64.41 90.04 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.576 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.7 t 175.35 48.01 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.16 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.84 64.8 0.25 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.91 54.23 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 0.773 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.02 -173.29 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -46.63 172.83 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 56.24 4.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.516 1.798 . . . . 0.0 111.033 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.18 44.48 0.97 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -103.29 140.31 14.82 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -56.59 -38.57 72.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 0.787 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.518 HG23 ' N ' ' A' ' 93' ' ' ALA . 0.6 OUTLIER -63.65 -55.28 23.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.312 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.518 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -49.66 -69.31 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.13 -49.88 9.59 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -48.48 -57.33 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 0.772 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.4 OUTLIER -54.76 -31.77 59.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 110.036 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tt -69.56 -35.04 75.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.82 -45.76 64.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.64 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.4 OUTLIER -58.6 -44.82 89.99 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 111.021 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 96' ' ' SER . 53.7 t -62.65 -51.37 72.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.312 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -60.02 -25.91 65.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.491 1.119 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -76.51 -43.35 39.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.64 HG23 ' O ' ' A' ' 99' ' ' MET . 84.3 t -61.62 -35.63 68.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -79.35 -68.79 1.45 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.516 1.135 . . . . 0.0 110.97 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 106' ' ' SER . 0.3 OUTLIER -57.42 -179.87 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.538 0.787 . . . . 0.0 109.337 -179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.483 ' N ' HG13 ' A' ' 105' ' ' VAL . 0.6 OUTLIER -90.77 102.04 14.8 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.142 . . . . 0.0 110.019 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.97 177.43 7.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.563 1.164 . . . . 0.0 110.99 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -121.81 140.8 51.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.1 . . . . 0.0 111.028 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -117.52 -39.03 3.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.09 118.85 8.03 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 54.62 3.73 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.506 1.793 . . . . 0.0 110.958 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.62 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.52 0.2 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.405 ' O ' ' CB ' ' A' ' 3' ' ' ASP . 92.6 mt-30 -128.61 -72.7 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.4 OUTLIER 74.77 137.4 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.408 ' O ' ' O ' ' A' ' 3' ' ' ASP . 89.3 m 56.71 160.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 110.398 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.5 m -49.31 125.02 10.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 1.103 . . . . 0.0 110.004 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.408 ' O ' ' N ' ' A' ' 8' ' ' VAL . 18.9 m -60.34 88.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.026 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.423 ' O ' ' C ' ' A' ' 8' ' ' VAL . 28.1 t 69.85 -60.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 7' ' ' VAL . 24.7 t -38.82 107.81 0.44 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.488 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.99 -177.77 3.7 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.418 1.746 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.8 mm? -63.32 -67.43 0.43 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.423 ' C ' ' O ' ' A' ' 10' ' ' LEU . 47.7 m80 -38.46 -63.33 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 109.591 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.488 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -43.94 -50.6 8.08 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 107.943 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.514 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -46.02 -48.95 16.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.115 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -62.68 -35.96 92.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.533 1.145 . . . . 0.0 111.007 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.502 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.0 m-85 -71.13 -34.54 71.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 0.768 . . . . 0.0 111.025 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.8 -46.15 61.86 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -63.35 -52.97 59.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 0.775 . . . . 0.0 111.012 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.46 72.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -76.63 -24.28 53.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.511 1.132 . . . . 0.0 109.33 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 1.7 tp -72.6 -50.42 25.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.316 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 22' ' ' ALA . 12.3 p -64.22 -46.64 92.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -63.29 -45.28 92.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 109.338 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.525 ' O ' ' CG1' ' A' ' 27' ' ' ILE . 14.6 m -58.24 -65.26 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.038 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -32.37 46.18 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.552 1.158 . . . . 0.0 111.043 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -66.65 2.52 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.0 mm -62.51 -61.13 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 0.764 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.525 ' CG1' ' O ' ' A' ' 23' ' ' SER . 1.1 pp -52.58 -21.06 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.343 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.41 -82.57 0.51 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.486 1.116 . . . . 0.0 111.007 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 18.1 m-85 -49.89 -34.05 19.05 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 0.0 111.021 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 21.6 t -83.84 -31.47 8.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.726 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 82.27 -65.66 0.11 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.502 1.126 . . . . 0.0 109.294 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.726 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.93 155.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.54 4.03 20.09 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.479 1.112 . . . . 0.0 110.973 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -65.87 127.93 34.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 0.763 . . . . 0.0 110.027 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.625 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.0 t -79.88 -44.26 1.51 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.291 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.6 Cg_endo -74.94 -47.37 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.496 1.787 . . . . 0.0 111.028 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.491 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.4 t -50.82 -61.22 2.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 109.974 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.9 tp -54.58 -49.41 70.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.07 -33.4 51.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.71 -37.29 73.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -65.27 -35.31 91.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -58.69 3.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 0.756 . . . . 0.0 109.271 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 4.7 mp -49.12 -67.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.533 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 5.3 m-85 -60.3 -20.9 61.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 111.004 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.63 -67.59 2.11 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.156 . . . . 0.0 110.976 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 50' ' ' LEU . 54.8 m -64.57 -48.24 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 0.772 . . . . 0.0 109.987 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.428 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -51.03 -42.31 60.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.549 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -61.48 -60.88 3.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -62.12 -73.17 0.54 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.021 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 11.1 mp -44.18 -59.42 2.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.466 ' HA2' ' CB ' ' A' ' 56' ' ' SER . . . -50.33 -48.09 41.66 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.547 1.155 . . . . 0.0 110.974 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.549 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -56.02 -34.22 65.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 0.721 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 52' ' ' ALA . 1.3 m-85 -155.22 83.63 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.504 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -179.07 -72.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 110.248 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -179.48 70.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.466 ' CB ' ' HA2' ' A' ' 51' ' ' GLY . 0.1 OUTLIER -179.68 36.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.136 . . . . 0.0 110.05 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.417 ' O ' ' O ' ' A' ' 58' ' ' ASP . 0.4 OUTLIER -179.81 89.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 57' ' ' GLN . 1.7 m-20 61.78 130.17 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -54.74 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.467 1.772 . . . . 0.0 110.987 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -52.16 -68.61 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.426 1.079 . . . . 0.0 110.309 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 30.5 m120 -41.43 -52.7 3.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.289 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.3 t -44.75 -52.1 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.479 ' CZ3' ' HB2' ' A' ' 67' ' ' ALA . 1.0 OUTLIER -52.52 -46.2 66.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 108.032 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.409 ' H ' HG23 ' A' ' 64' ' ' VAL . 14.9 t -55.96 -36.9 45.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -77.19 -23.53 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.48 -47.61 63.37 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB2' ' CZ3' ' A' ' 63' ' ' TRP . . . -71.93 -40.34 68.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.294 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 12.2 m -55.04 -68.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 6.3 t -64.58 -28.96 69.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.974 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -53.51 -50.62 52.39 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.492 1.12 . . . . 0.0 111.007 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.7 m -76.87 -45.84 26.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 0.771 . . . . 0.0 110.406 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.741 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.9 OUTLIER -46.31 -48.66 18.19 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.73 -29.68 32.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.73 -47.04 30.97 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.459 1.1 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.741 HG22 ' O ' ' A' ' 72' ' ' LEU . 4.9 tp -48.63 -37.75 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.288 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.417 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 0.0 OUTLIER 166.55 177.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 110.991 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.46 ' HA2' ' CZ ' ' A' ' 80' ' ' PHE . . . 68.9 117.09 0.03 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.502 1.127 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 50.9 ttm -106.39 -29.7 9.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 0.752 . . . . 0.0 111.037 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 7.5 mtm180 -112.25 -68.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.46 ' CZ ' ' HA2' ' A' ' 77' ' ' GLY . 13.9 p90 -62.89 156.63 23.72 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -146.84 -172.85 4.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -41.98 144.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.613 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.564 ' HA ' ' CE1' ' A' ' 86' ' ' PHE . 6.5 p 169.09 46.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.68 89.3 0.55 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.508 1.13 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 39.98 64.58 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 0.735 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.564 ' CE1' ' HA ' ' A' ' 83' ' ' SER . 1.4 p90 -136.05 164.91 26.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 111.024 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.545 ' SD ' ' CE2' ' A' ' 86' ' ' PHE . 0.0 OUTLIER 70.31 151.58 0.13 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.978 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -57.13 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 110.993 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.71 -62.62 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.308 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 99.65 91.11 2.04 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.445 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -63.1 -61.22 2.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.493 0.76 . . . . 0.0 109.292 179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.4 mm -64.67 -65.44 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.86 -65.52 0.52 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.57 -51.15 10.15 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 0.0 111.001 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.04 -54.72 14.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 0.775 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.76 -32.8 63.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.118 . . . . 0.0 109.984 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -70.95 -32.13 68.92 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -68.97 -49.72 55.44 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.07 -46.13 89.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 111.009 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 10.3 t -57.96 -50.35 78.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.21 -38.96 69.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.24 -48.5 81.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.6 t -52.69 -53.69 19.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.55 -76.46 0.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.108 . . . . 0.0 111.026 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 73.1 t -45.32 150.86 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.503 0.766 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 36.9 m -85.29 95.93 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 110.043 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.1 tpt 179.43 150.99 0.34 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.115 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.13 167.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -154.59 148.34 25.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.54 137.55 61.56 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.285 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 95.44 0.98 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.551 1.816 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 25.3 t60 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.624 179.986 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.553 0.216 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.57 -37.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 110.331 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -111.44 118.76 36.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 70.1 m 59.14 154.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.1 m -46.62 162.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.547 1.154 . . . . 0.0 110.025 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.412 ' CB ' ' HB3' ' A' ' 88' ' ' PRO . 24.2 m -79.53 54.06 1.68 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 8' ' ' VAL . 2.4 t 64.64 56.52 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.579 1.174 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 7' ' ' VAL . 7.9 m -154.51 132.77 6.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.542 ' HG2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.0 163.11 35.99 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.6 mp -50.5 -59.21 4.25 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' LEU . 13.5 m170 -39.27 -59.14 1.09 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.602 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.542 ' CD1' ' HG2' ' A' ' 9' ' ' PRO . 8.4 m95 -45.77 -51.52 12.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 107.99 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.43 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 5.2 t80 -47.86 -45.32 30.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.043 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.28 -34.47 89.56 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.128 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.537 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -74.96 -31.79 61.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 0.756 . . . . 0.0 111.004 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.98 57.8 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -69.58 -43.43 72.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 0.747 . . . . 0.0 110.968 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -69.19 -39.1 78.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -75.18 -22.48 58.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.8 tt -72.78 -53.7 10.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.267 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.8 m -63.5 -44.15 98.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.302 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.66 -56.09 18.45 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.493 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 27.6 m -47.73 -65.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.047 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.423 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -57.43 -26.41 56.66 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.135 . . . . 0.0 110.98 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.72 -68.18 1.79 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.439 HG23 HG21 ' A' ' 30' ' ' VAL . 73.3 mt -69.34 -53.46 25.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.507 0.769 . . . . 0.0 109.32 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.543 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.7 mt -54.31 -23.42 10.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 109.269 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.423 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -80.06 0.79 Allowed Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.509 1.131 . . . . 0.0 111.02 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -46.77 -39.25 11.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 0.732 . . . . 0.0 111.028 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 18.4 t -84.1 -30.61 7.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 89.82 -53.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.54 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 80.92 -7.35 59.65 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.474 ' CB ' ' HB3' ' A' ' 37' ' ' SER . 51.0 m -42.53 116.1 0.8 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 110.02 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.6 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.4 t -79.15 -46.63 1.66 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.02 -50.61 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.497 1.788 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' SER . 1.7 t -51.82 -60.99 2.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.69 -47.17 70.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.53 -34.24 64.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.8 -29.92 62.44 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -70.88 -34.05 65.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.528 1.142 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.44 -59.24 2.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.483 0.755 . . . . 0.0 109.282 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.9 tp -50.42 -59.66 3.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.51 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 4.3 t80 -66.6 -24.14 66.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -56.59 -67.15 2.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 21.3 p -66.91 -48.35 68.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.998 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.435 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 4.5 tp -49.71 -38.69 34.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.301 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -71.32 -76.1 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -44.45 -63.06 2.57 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.557 1.16 . . . . 0.0 111.024 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -54.62 -61.15 2.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 0.736 . . . . 0.0 109.262 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -42.13 -73.13 0.23 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.491 1.12 . . . . 0.0 110.995 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -44.04 -32.54 1.2 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 0.77 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.473 ' CE1' ' CB ' ' A' ' 69' ' ' SER . 1.9 t80 -106.58 41.06 1.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.009 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 51' ' ' GLY . 6.2 tp60 -173.43 -78.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.144 . . . . 0.0 110.256 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.587 HD22 HG11 ' A' ' 62' ' ' VAL . 0.2 OUTLIER 179.7 85.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 -179.925 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.0 37.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 173.26 83.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.577 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER 67.72 129.36 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -61.06 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.545 1.813 . . . . 0.0 111.025 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.29 -68.24 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.282 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -42.57 -55.26 3.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.587 HG11 HD22 ' A' ' 55' ' ' LEU . 2.5 t -45.29 -48.83 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -53.41 -47.12 69.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.7 t -56.24 -34.39 39.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.253 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -77.04 -25.69 52.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.968 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.44 -49.03 58.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.69 -42.78 73.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 5.1 m -52.8 -67.04 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 0.0 110.388 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.473 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.5 OUTLIER -62.02 -30.48 70.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.097 . . . . 0.0 110.044 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -51.63 -53.92 26.97 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 2.9 m -74.26 -49.82 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 0.745 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -42.38 -59.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.49 90.9 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.5 -30.86 6.5 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.518 1.136 . . . . 0.0 111.009 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 8.5 mm -67.52 -50.98 56.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.487 0.757 . . . . 0.0 109.251 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -151.45 158.79 44.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.415 ' O ' ' CD1' ' A' ' 80' ' ' PHE . . . -77.22 -151.31 4.34 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.2 mtp -74.56 62.93 1.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.457 0.739 . . . . 0.0 111.016 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -160.71 48.87 0.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 110.316 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.522 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -166.38 50.52 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 111.015 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -86.91 123.66 32.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 111.036 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -69.89 -47.04 64.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.619 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.9 m 56.45 55.3 6.65 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.498 1.124 . . . . 0.0 109.981 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 37.55 -138.31 0.59 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.105 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.573 ' C ' ' CD1' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -179.7 59.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 0.745 . . . . 0.0 109.303 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.573 ' CD1' ' C ' ' A' ' 85' ' ' LYS . 14.1 p90 40.64 94.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 111.014 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.482 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 167.69 -53.04 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.95 -31.68 6.09 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.494 1.787 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -170.76 -51.44 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 96.89 88.93 1.84 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.518 1.136 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.65 -73.05 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.42 HG13 ' N ' ' A' ' 93' ' ' ALA . 17.8 pt -64.11 -38.72 83.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.42 ' N ' HG13 ' A' ' 92' ' ' ILE . . . -58.32 -75.03 0.05 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.315 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.9 -47.5 9.42 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.464 1.103 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.77 -57.97 4.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.791 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.644 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.2 OUTLIER -56.04 -31.53 63.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.68 -34.69 77.42 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.105 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.7 mt -70.95 -51.5 25.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.3 mtt -52.62 -46.48 67.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.644 HG23 ' O ' ' A' ' 96' ' ' SER . 85.7 t -61.72 -51.41 73.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.58 -36.26 61.73 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.161 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.01 -52.22 38.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.251 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 24.1 t -46.1 -44.4 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.58 -75.42 0.84 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.467 1.104 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 80.1 t -49.33 160.23 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.285 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m -43.51 102.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.017 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 175.6 174.07 0.28 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 111.001 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -170.97 151.77 3.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.048 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.419 ' C ' ' HD2' ' A' ' 111' ' ' PRO . 7.4 t-20 -87.35 46.36 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.526 ' N ' ' CD ' ' A' ' 111' ' ' PRO . 3.5 ttp85 -41.15 -50.2 8.22 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.526 ' CD ' ' N ' ' A' ' 110' ' ' ARG . 18.3 Cg_endo -74.96 66.46 5.98 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.483 1.781 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 109.619 -179.992 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.463 0.173 . . . . 0.0 111.022 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -149.99 -64.0 0.21 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 1.153 . . . . 0.0 110.294 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.13 148.65 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 64.9 p -42.61 152.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.394 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 7' ' ' VAL . 13.9 t -59.77 -32.31 70.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.12 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.5 t 66.92 -71.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.72 HG23 HG22 ' A' ' 8' ' ' VAL . 15.6 m -95.88 -176.75 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.974 HG12 ' CD2' ' A' ' 12' ' ' TRP . 0.1 OUTLIER 41.45 91.52 0.06 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.26 3.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.513 1.796 . . . . 0.0 111.036 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.527 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.5 OUTLIER -46.48 -57.45 4.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' LEU . 28.0 t60 -38.67 -65.34 0.36 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.582 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.974 ' CD2' HG12 ' A' ' 8' ' ' VAL . 2.2 t90 -46.46 -47.53 19.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 107.998 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.527 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.46 -46.35 37.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.72 -29.64 71.09 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.506 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -73.97 -33.54 63.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 0.8 . . . . 0.0 110.995 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.451 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -74.2 -48.4 15.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -49.67 73.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 0.784 . . . . 0.0 110.997 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.38 -59.99 3.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -51.68 -32.85 31.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.591 1.182 . . . . 0.0 109.329 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.451 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 5.3 tt -68.92 -50.57 48.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 109.28 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.8 t -50.52 -58.29 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.34 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.11 -48.77 80.38 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.329 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 1.5 m -49.12 -78.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.153 . . . . 0.0 109.98 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.41 -31.14 3.3 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.501 1.126 . . . . 0.0 111.003 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -77.44 0.16 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.966 -0.853 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 56.3 mt -64.72 -52.36 55.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 0.748 . . . . 0.0 109.312 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.542 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 14.7 mm -52.81 -24.14 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.22 -78.11 0.82 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -47.93 -40.09 21.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 0.764 . . . . 0.0 110.979 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.513 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 45.6 t -83.56 -28.1 7.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.107 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.737 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 1.4 tttp 88.75 -62.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.737 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.48 44.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -119.18 44.89 1.32 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.51 1.131 . . . . 0.0 110.976 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.787 ' O ' HG23 ' A' ' 35' ' ' VAL . 4.6 t -90.07 -138.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 0.747 . . . . 0.0 110.039 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.787 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.7 -53.76 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.31 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.96 -47.51 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 2.8 m -60.4 -54.41 45.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.993 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.63 -51.21 63.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.73 -29.56 64.85 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -73.28 -31.55 64.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.93 -34.87 58.53 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.92 -59.58 2.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 0.783 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.64 -57.83 9.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.29 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.605 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 26.9 t80 -63.99 -22.33 66.88 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 111.034 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.71 -62.46 5.5 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.482 1.114 . . . . 0.0 111.017 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.526 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 58.1 m -62.76 -45.01 94.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 0.777 . . . . 0.0 109.994 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.42 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.0 OUTLIER -60.97 -28.23 68.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.127 . . . . 0.0 109.307 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -74.72 -76.19 0.15 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.405 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -49.6 -50.21 31.43 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.526 ' CB ' ' O ' ' A' ' 46' ' ' SER . 6.5 tp -64.23 -61.51 2.2 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 0.756 . . . . 0.0 109.284 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.42 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -39.85 -56.79 2.55 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.458 1.099 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.13 -39.9 76.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.6 ' HA ' ' CD2' ' A' ' 65' ' ' PHE . 45.0 m-85 -104.85 52.56 0.74 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.552 ' N ' ' CE2' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -178.12 -77.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 110.283 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' GLN . 0.4 OUTLIER -179.62 86.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.316 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 167.74 42.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.999 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 173.2 81.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.103 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.405 ' O ' HG23 ' A' ' 62' ' ' VAL . 26.9 m-20 63.21 132.11 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -47.72 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.807 . . . . 0.0 111.034 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.6 -67.39 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 110.299 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -42.06 -54.52 3.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.294 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.436 ' O ' ' CD2' ' A' ' 65' ' ' PHE . 2.6 t -42.82 -50.74 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -52.8 -49.76 64.97 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.955 -1.128 . . . . 0.0 107.955 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.4 -34.63 18.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 109.284 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.605 ' CD1' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -74.63 -33.35 62.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.43 1.081 . . . . 0.0 111.007 -179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mt -60.79 -49.61 76.8 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.158 . . . . 0.0 109.263 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.13 -44.83 78.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.32 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 14.9 m -55.87 -80.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.382 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -51.88 -32.67 33.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.989 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -49.42 -58.43 8.14 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.47 1.107 . . . . 0.0 111.012 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 m -67.9 -46.04 72.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.786 . . . . 0.0 110.414 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.0 mp -45.39 -59.83 2.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.338 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.26 93.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.06 -39.73 12.34 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.1 mt -56.78 -61.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 0.756 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -162.9 178.74 8.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.446 ' O ' ' CB ' ' A' ' 78' ' ' MET . . . -168.3 -163.16 21.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.511 1.132 . . . . 0.0 110.988 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.446 ' CB ' ' O ' ' A' ' 77' ' ' GLY . 0.0 OUTLIER 78.75 -60.19 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 0.732 . . . . 0.0 110.976 179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -107.83 135.72 48.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.3 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -70.89 159.19 35.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.987 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.61 -50.25 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 111.021 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.467 ' C ' ' CD2' ' A' ' 82' ' ' HIS . 0.2 OUTLIER -51.87 -177.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.137 . . . . 0.0 109.551 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 68.54 75.47 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 179.49 36.53 0.07 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' HB3' ' CG ' ' A' ' 88' ' ' PRO . 6.8 mttt -114.45 -45.71 3.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 0.783 . . . . 0.0 109.296 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.9 m-85 67.36 -63.01 0.31 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.48 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 1.5 mtp -38.18 -52.63 3.08 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.48 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.99 -86.56 0.0 OUTLIER 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.486 1.782 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -90.78 167.38 12.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -129.04 53.48 0.8 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.98 -66.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 5.8 tt -62.59 -44.6 99.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.467 1.104 . . . . 0.0 109.309 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -57.07 -68.93 0.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.07 -49.38 9.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.457 1.098 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.9 -62.13 1.61 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.775 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.16 -27.85 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.011 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -70.5 -38.52 74.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.654 HD12 ' HE3' ' A' ' 102' ' ' LYS . 1.2 mm? -71.29 -33.05 69.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.21 -51.94 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.129 . . . . 0.0 111.02 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.504 ' HA ' HG12 ' A' ' 103' ' ' VAL . 33.8 m -69.29 -28.92 40.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.88 -45.0 68.64 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.654 ' HE3' HD12 ' A' ' 98' ' ' LEU . 10.0 mttt -62.1 -60.23 3.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 100' ' ' VAL . 8.3 p -56.94 -30.55 33.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.31 -40.94 91.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.531 1.144 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -164.96 133.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.272 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.096 . . . . 0.0 109.981 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -164.93 101.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -40.76 -64.48 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 166.59 165.87 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -98.85 157.79 33.53 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 110.43 3.12 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.518 1.799 . . . . 0.0 111.002 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 10.2 p80 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.596 -179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.508 0.194 . . . . 0.0 110.983 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -170.06 158.35 7.0 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 1.136 . . . . 0.0 110.273 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 4' ' ' THR . 8.3 m-20 -70.56 167.78 17.74 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.518 1.136 . . . . 0.0 109.324 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 5' ' ' SER . 9.0 t -42.54 165.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.401 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 4' ' ' THR . 51.5 p -37.92 -40.8 0.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 110.036 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 5' ' ' SER . 7.0 t 60.65 145.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 68.6 t 64.23 -81.75 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.326 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.42 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 13.4 m -67.3 133.81 93.27 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.564 ' HB2' ' CE1' ' A' ' 11' ' ' HIS . 18.3 Cg_endo -75.06 166.76 28.47 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.462 1.769 . . . . 0.0 110.989 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.4 tt -56.79 -62.97 1.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.564 ' CE1' ' HB2' ' A' ' 9' ' ' PRO . 5.2 p-80 -40.58 -53.85 2.64 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.594 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.461 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.2 t-105 -47.29 -53.08 14.43 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -49.1 -41.08 34.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.67 -36.45 91.31 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -68.5 -35.99 78.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 0.757 . . . . 0.0 110.98 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.55 ' O ' HD23 ' A' ' 20' ' ' LEU . . . -71.45 -40.13 60.4 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.42 1.075 . . . . 0.0 110.982 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 49.6 t80 -64.74 -44.53 89.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 0.77 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.78 -47.05 79.52 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -64.16 -27.07 68.82 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.347 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.55 HD23 ' O ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -68.1 -52.62 32.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.277 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 55.3 t -56.79 -58.53 5.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.03 -42.32 72.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 1.139 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.403 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 0.9 OUTLIER -49.99 -74.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.426 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -50.43 -26.78 10.36 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.05 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.83 -72.78 0.55 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.92 ' O ' HG12 ' A' ' 30' ' ' VAL . 9.0 mt -71.43 -50.32 41.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.489 0.758 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.508 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.2 mm -53.29 -27.33 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.546 1.154 . . . . 0.0 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.426 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.42 -72.86 1.13 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.482 1.114 . . . . 0.0 110.989 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -45.15 -43.7 10.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 0.763 . . . . 0.0 110.996 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.92 HG12 ' O ' ' A' ' 26' ' ' ILE . 2.9 p -83.52 -27.92 7.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.717 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.92 -63.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.717 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 161.69 151.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 122.52 5.28 8.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.494 1.121 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.501 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.3 m -64.8 129.33 39.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 0.763 . . . . 0.0 110.043 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.656 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -80.28 -43.28 1.39 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -74.93 -42.37 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.48 1.779 . . . . 0.0 111.022 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.501 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 6.7 t -56.83 -57.13 13.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.096 . . . . 0.0 110.013 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 tp -54.12 -50.74 66.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -53.79 -33.79 57.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.283 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -69.26 -36.1 76.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.133 . . . . 0.0 109.259 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.58 -32.96 79.83 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.85 -60.64 2.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 0.747 . . . . 0.0 109.262 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.539 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 25.0 m-85 -62.36 -18.53 61.72 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 111.018 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.16 -66.7 2.46 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.492 1.12 . . . . 0.0 110.984 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 79.8 p -63.25 -44.2 95.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 0.753 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.478 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -56.59 -42.31 78.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.539 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -61.14 -58.58 7.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -61.18 -76.24 0.25 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.458 1.099 . . . . 0.0 111.016 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.675 HD23 HD22 ' A' ' 55' ' ' LEU . 6.5 mp -44.28 -59.41 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.478 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -47.9 -67.28 1.63 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.588 1.18 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.523 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -48.23 -23.9 1.01 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 0.777 . . . . 0.0 109.283 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 65' ' ' PHE . 4.7 m-85 -95.7 30.15 2.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 111.022 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.491 ' C ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 51.08 88.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 110.342 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.675 HD22 HD23 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -145.81 -46.64 0.21 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.93 62.36 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.987 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -149.77 -73.57 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.315 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.799 ' O ' HG23 ' A' ' 62' ' ' VAL . 47.8 m-20 -133.16 155.63 80.77 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -45.47 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.792 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 1.9 mmt180 -53.62 -66.99 0.29 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -44.24 -51.24 8.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 109.259 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 58' ' ' ASP . 18.3 t -45.09 -49.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.35 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 1.6 t-105 -56.08 -46.27 79.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.578 1.174 . . . . 0.0 108.007 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.2 t -57.57 -32.54 42.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.548 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.0 t80 -79.58 -25.24 41.61 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.122 . . . . 0.0 111.04 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.2 tp -69.15 -49.99 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.46 -41.15 69.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.1 m -54.02 -72.78 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.47 1.106 . . . . 0.0 110.418 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.1 t -66.69 -22.53 66.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.991 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.4 -52.46 47.59 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.514 1.133 . . . . 0.0 111.049 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 5.2 t -80.98 -42.4 21.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -48.67 -58.02 5.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.473 ' HB2' ' CE1' ' A' ' 81' ' ' TYR . . . -81.11 -30.55 34.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.93 -43.84 17.49 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.485 1.116 . . . . 0.0 110.973 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.444 HG22 ' SD ' ' A' ' 76' ' ' MET . 5.9 mt -46.79 -59.75 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 0.76 . . . . 0.0 109.277 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.544 ' HG2' ' CD2' ' A' ' 80' ' ' PHE . 1.1 mpp? -96.14 -170.81 2.18 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -67.45 -160.07 1.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.545 1.153 . . . . 0.0 110.992 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.93 83.13 2.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 0.74 . . . . 0.0 110.966 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.78 -53.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.544 ' CD2' ' HG2' ' A' ' 76' ' ' MET . 0.3 OUTLIER -40.21 136.76 1.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 110.985 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.538 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 1.9 m-85 -175.16 55.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 21.8 m-70 47.19 -172.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.412 ' O ' ' O ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER -167.68 -42.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.969 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 83' ' ' SER . . . 58.87 121.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.116 . . . . 0.0 110.953 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.436 ' HA ' HD11 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -88.96 42.71 1.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 0.775 . . . . 0.0 109.313 179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER 173.57 38.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.966 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.58 167.75 17.66 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 110.997 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.66 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.98 64.16 6.02 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.501 1.79 . . . . 0.0 111.005 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.66 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . 166.3 -42.03 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 97.79 66.89 0.9 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.15 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -73.5 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.809 HD12 ' N ' ' A' ' 93' ' ' ALA . 2.7 pp -65.54 -50.01 74.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.809 ' N ' HD12 ' A' ' 92' ' ' ILE . . . -54.21 -67.21 0.28 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.328 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.18 -46.13 15.59 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.525 1.141 . . . . 0.0 111.025 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.42 -61.2 2.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 0.744 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.4 t -56.45 -28.33 59.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.123 . . . . 0.0 110.02 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 1.1 tp -69.74 -35.41 74.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.82 -57.48 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -48.03 -52.03 21.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 29.4 t -60.72 -43.18 94.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.82 -40.13 75.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.263 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.4 mttt -62.61 -51.56 66.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.9 t -50.93 -39.72 19.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.27 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -75.78 -81.58 0.52 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.094 . . . . 0.0 111.005 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.06 155.97 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.46 -72.38 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.977 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 51.9 48.16 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.126 . . . . 0.0 111.022 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -81.29 -68.4 0.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 60.56 -166.76 0.19 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.488 ' CB ' ' HD3' ' A' ' 111' ' ' PRO . 0.0 OUTLIER 167.3 -54.11 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 110.262 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.488 ' HD3' ' CB ' ' A' ' 110' ' ' ARG . 18.3 Cg_endo -75.06 60.56 5.52 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.542 1.812 . . . . 0.0 110.977 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 8.1 t60 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.594 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 tmm? . . . . . 0 N--CA 1.454 -0.267 0 CA-C-O 120.482 0.182 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -170.2 157.67 6.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -43.79 151.55 0.2 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.3 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 22.5 m -52.5 153.01 3.24 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.403 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.7 p -73.7 91.56 1.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.3 m -88.99 -55.77 3.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.3 m -44.94 -32.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.307 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.9 m -126.58 114.8 22.9 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.152 . . . . 0.0 109.319 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 174.9 11.99 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.526 1.803 . . . . 0.0 110.956 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.446 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -47.1 -60.38 2.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.446 ' C ' ' O ' ' A' ' 10' ' ' LEU . 9.1 t-160 -36.17 -53.22 0.8 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 109.65 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.1 m-90 -52.31 -56.66 13.38 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.429 ' N ' ' O ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -52.81 -28.08 21.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.57 -36.97 47.49 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.498 1.123 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.1 OUTLIER -76.15 -28.82 57.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 0.75 . . . . 0.0 110.97 -179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -76.32 -46.21 13.02 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -67.57 -44.49 78.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 0.77 . . . . 0.0 111.025 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.03 -49.07 66.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.341 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.89 -25.16 67.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.709 ' C ' HD23 ' A' ' 20' ' ' LEU . 2.3 tt -70.7 -49.9 42.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' N ' HD23 ' A' ' 20' ' ' LEU . 54.1 t -58.16 -57.05 12.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.01 -39.59 82.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.0 m -53.08 -75.04 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.031 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.39 -24.54 23.51 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.523 1.139 . . . . 0.0 111.001 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.93 -73.9 0.43 Allowed Glycine 0 CA--C 1.529 0.967 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 mt -67.91 -49.37 69.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.489 0.758 . . . . 0.0 109.36 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.523 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 36.8 mm -55.37 -25.94 18.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.147 . . . . 0.0 109.264 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.408 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.53 -75.9 0.96 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.45 1.094 . . . . 0.0 111.018 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -46.67 -41.12 14.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 111.013 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 40.0 t -83.91 -28.18 7.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.721 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.3 OUTLIER 86.94 -64.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.721 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.69 143.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 125.86 3.71 6.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.497 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.4 OUTLIER -60.43 132.41 53.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 0.776 . . . . 0.0 110.02 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.647 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.63 -43.96 1.58 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.579 1.174 . . . . 0.0 109.336 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -74.98 -44.32 0.34 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.505 1.792 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.514 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 6.6 t -53.78 -58.07 8.56 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.982 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.6 mt -54.93 -51.04 67.32 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.17 -31.72 53.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.311 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.68 -36.38 73.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.338 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.13 -32.68 76.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.535 1.147 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.75 -61.46 1.77 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -50.99 -63.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 2.0 t80 -60.73 -22.97 64.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -60.06 -67.51 2.12 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.506 1.129 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 80.5 p -60.72 -51.98 67.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 110.018 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.465 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -49.17 -47.28 45.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.575 ' O ' ' HB2' ' A' ' 52' ' ' ALA . . . -54.66 -65.33 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.558 ' HA2' ' CE1' ' A' ' 53' ' ' TYR . . . -61.62 -78.31 0.17 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.528 1.143 . . . . 0.0 110.977 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.522 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 2.2 mp -39.05 -61.79 0.71 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.465 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -48.7 -48.11 29.63 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.463 1.102 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.601 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -57.02 -36.52 70.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 109.282 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HB3' ' CD1' ' A' ' 65' ' ' PHE . 3.2 p90 -146.99 79.61 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.524 1.14 . . . . 0.0 111.009 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.522 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 1.1 tm0? -176.69 -69.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER 164.11 73.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.091 . . . . 0.0 109.305 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.22 52.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.016 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 42.4 tp60 -171.27 -46.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 0.0 110.283 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.516 ' O ' ' CG2' ' A' ' 62' ' ' VAL . 3.5 m-20 -167.62 148.28 4.78 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.437 1.085 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 -83.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.494 1.786 . . . . 0.0 110.994 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.72 -61.54 0.82 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.312 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' HB2' ' CB ' ' A' ' 58' ' ' ASP . 27.7 m-80 -40.49 -60.6 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.516 ' CG2' ' O ' ' A' ' 58' ' ' ASP . 2.3 t -44.74 -47.58 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.54 -49.63 55.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.977 ' O ' HG23 ' A' ' 68' ' ' THR . 60.6 t -55.55 -39.08 52.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.601 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 6.3 m-85 -72.46 -25.32 61.4 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.986 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.5 tp -70.96 -41.82 70.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.319 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -69.56 -47.82 62.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.977 HG23 ' O ' ' A' ' 64' ' ' VAL . 75.8 p -53.32 -66.79 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.411 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 58.7 m -58.66 -41.18 85.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.034 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -43.54 -57.58 4.41 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.463 1.102 . . . . 0.0 111.008 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 97.4 m -67.05 -42.38 84.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 0.758 . . . . 0.0 110.397 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.76 -59.66 2.91 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.13 -42.55 98.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.05 -37.87 10.31 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.507 1.129 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.2 mt -55.15 -63.64 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.506 0.768 . . . . 0.0 109.304 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -177.74 166.22 2.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 111.053 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 62.54 140.05 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.461 1.1 . . . . 0.0 111.021 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 2.1 ttt -70.93 -53.44 14.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 0.787 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.401 ' O ' ' C ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -101.45 159.54 15.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 80' ' ' PHE . 3.2 p90 -37.55 117.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -85.96 -23.52 26.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 111.053 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -85.78 175.97 8.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.604 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.6 m -139.82 25.72 2.33 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.548 1.155 . . . . 0.0 109.972 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.457 ' HA2' ' CE ' ' A' ' 87' ' ' MET . . . -118.45 -36.37 0.93 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.456 1.097 . . . . 0.0 111.013 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 32.9 mttm -58.61 -60.56 3.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 0.768 . . . . 0.0 109.268 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -107.15 91.48 3.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.429 1.081 . . . . 0.0 110.992 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.459 ' CB ' ' HB2' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -172.93 140.53 0.94 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 87' ' ' MET . 18.3 Cg_endo -74.96 60.88 5.52 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.522 1.801 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 47.49 35.65 4.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.536 1.148 . . . . 0.0 109.325 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 151.92 60.52 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.504 1.127 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 87' ' ' MET . 1.0 OUTLIER -68.17 -67.2 0.48 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.467 0.746 . . . . 0.0 109.31 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.48 HG23 ' N ' ' A' ' 93' ' ' ALA . 4.3 tp -56.47 -52.3 54.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.48 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -51.25 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.9 -50.64 11.65 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.61 -55.77 12.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 0.748 . . . . 0.0 109.301 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -55.21 -30.68 60.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 110.007 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.34 -33.79 67.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.288 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.8 mt -72.78 -32.67 65.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.095 . . . . 0.0 109.307 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -70.67 -48.16 56.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 41.9 t -62.31 -47.05 94.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.18 -51.39 69.92 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.279 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -49.55 -57.54 6.91 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 47.1 t -48.65 -43.87 13.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.33 -71.51 0.8 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.133 . . . . 0.0 111.029 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.14 167.68 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 0.781 . . . . 0.0 109.358 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 8.5 t -68.44 110.64 4.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.435 1.085 . . . . 0.0 110.006 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.57 173.33 13.16 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 108' ' ' PHE . 10.7 p90 -167.37 124.13 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.549 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.8 t-20 -105.08 -58.13 1.93 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.549 ' C ' ' O ' ' A' ' 109' ' ' ASN . 0.7 OUTLIER 26.7 74.2 0.35 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.311 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 88.5 1.24 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.021 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.575 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.265 0 CA-C-O 120.467 0.175 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 48.12 97.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.275 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.6 OUTLIER -160.46 142.88 12.99 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 44.4 m 58.15 155.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.433 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 p -74.48 79.9 1.93 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.986 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -87.33 15.2 6.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.982 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.548 HG23 ' HA ' ' A' ' 89' ' ' ALA . 3.6 p -132.78 -46.07 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.539 HG23 ' HD2' ' A' ' 9' ' ' PRO . 4.3 p -169.83 140.2 1.7 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.539 ' HD2' HG23 ' A' ' 8' ' ' VAL . 18.4 Cg_endo -74.99 172.28 16.67 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.493 1.786 . . . . 0.0 111.016 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.97 -74.05 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.8 OUTLIER -33.15 -65.9 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.59 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.478 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 1.6 m95 -42.61 -55.0 3.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 108.002 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.2 t80 -41.14 -50.23 3.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 111.02 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.85 -44.58 94.27 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 3.1 m-85 -67.74 -30.78 70.35 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.734 . . . . 0.0 111.043 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.48 -41.04 37.8 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.464 1.102 . . . . 0.0 110.956 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -63.55 -53.55 50.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 0.755 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.49 -42.17 98.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -66.29 -25.23 66.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.5 tp -70.82 -53.93 13.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.42 1.075 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 70.2 t -54.16 -53.69 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.339 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.19 94.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.429 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 3.4 m -55.12 -75.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.03 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.44 -19.83 20.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.461 1.101 . . . . 0.0 110.998 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.52 -72.29 0.7 Allowed Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -70.82 -41.55 77.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.481 0.754 . . . . 0.0 109.322 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.509 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 56.0 mt -62.8 -26.43 40.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.15 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.403 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.19 -72.41 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -46.65 -42.67 16.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 111.028 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.6 t -83.92 -27.05 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.724 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.57 -51.88 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.724 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.25 -167.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.575 1.172 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 78.21 -3.67 61.33 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.508 1.13 . . . . 0.0 111.021 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.479 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 40.5 m -47.55 116.86 1.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 109.968 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.658 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -78.32 -43.48 2.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.99 -46.79 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.433 1.754 . . . . 0.0 111.018 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.479 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 2.8 t -57.47 -56.62 19.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 109.981 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.8 tp -52.94 -50.26 64.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.11 -35.05 64.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.43 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.06 -32.02 69.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.56 -32.7 64.32 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.2 mp -70.38 -60.41 2.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 0.755 . . . . 0.0 109.288 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.55 -61.16 2.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 29.2 t80 -62.46 -22.73 66.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.128 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.13 -67.15 2.25 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.491 1.119 . . . . 0.0 111.005 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.465 ' HB2' HD12 ' A' ' 50' ' ' LEU . 83.8 p -59.81 -42.38 93.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.976 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.415 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.2 OUTLIER -56.86 -40.7 76.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -64.93 -69.91 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -50.94 -72.58 0.48 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.465 HD12 ' HB2' ' A' ' 46' ' ' SER . 68.4 mt -45.45 -42.94 11.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 0.754 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.13 -68.21 1.12 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.545 1.153 . . . . 0.0 111.024 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.81 -14.35 44.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 0.765 . . . . 0.0 109.336 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' O ' ' CB ' ' A' ' 54' ' ' GLN . 6.5 m-85 -111.39 32.11 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 53' ' ' TYR . 45.6 tp60 86.51 84.79 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER -179.96 63.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.29 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.576 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 1.8 t 92.82 -174.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 64.45 -172.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.302 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -39.62 123.24 1.47 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -34.92 3.43 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.494 1.786 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.38 -67.21 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.14 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -40.4 -66.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.593 HG22 ' O ' ' A' ' 58' ' ' ASP . 29.1 m -42.74 -44.86 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -50.95 -53.66 31.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.009 -1.108 . . . . 0.0 108.009 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 54.8 t -54.43 -33.65 26.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.298 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -76.23 -28.93 57.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.414 HD13 ' HG2' ' A' ' 54' ' ' GLN . 4.9 tp -66.52 -45.38 79.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.12 -44.61 65.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 21.4 m -51.23 -71.45 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.681 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 24.4 t -68.29 -20.74 64.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.71 -56.99 19.72 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 4.3 m -83.91 -47.33 11.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.365 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.651 ' O ' HG22 ' A' ' 75' ' ' ILE . 0.3 OUTLIER -49.6 -51.71 35.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.681 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -83.9 -31.13 25.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.16 -42.09 16.33 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.543 1.152 . . . . 0.0 110.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.651 HG22 ' O ' ' A' ' 72' ' ' LEU . 1.2 tt -60.96 -29.75 46.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.528 0.781 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.436 ' N ' ' O ' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -99.56 -179.62 4.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 111.023 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.5 -149.9 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.23 -64.65 1.11 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.531 0.783 . . . . 0.0 111.014 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.467 ' O ' ' CG ' ' A' ' 80' ' ' PHE . 2.0 mtt180 -119.55 111.33 17.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.467 ' CG ' ' O ' ' A' ' 79' ' ' ARG . 62.1 m-85 -162.93 166.67 23.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.937 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 1.1 t80 44.21 -163.08 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.991 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.8 t60 77.37 62.52 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.584 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.0 t -174.06 44.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.038 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 85' ' ' LYS . . . -90.26 115.96 4.71 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.533 1.145 . . . . 0.0 110.999 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER 34.89 69.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 0.77 . . . . 0.0 109.318 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.403 ' CD1' ' C ' ' A' ' 85' ' ' LYS . 1.4 m-85 47.96 69.09 0.57 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.447 1.092 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.471 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -66.31 -51.88 40.92 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 111.037 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.592 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.96 -41.65 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.515 1.797 . . . . 0.0 111.017 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.592 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . 169.35 -40.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 109.286 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 161.87 57.33 0.02 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.506 1.129 . . . . 0.0 111.01 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.591 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 2.0 tt -70.21 -51.66 29.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 0.772 . . . . 0.0 109.293 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.526 HG23 ' N ' ' A' ' 93' ' ' ALA . 1.4 tp -62.76 -55.47 23.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.526 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -56.36 -67.78 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.87 -47.3 9.39 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.474 1.109 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.591 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.72 -56.23 9.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 0.768 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.64 -30.56 65.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 110.02 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.54 -31.38 66.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tp -74.92 -46.04 38.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.1 mtp -58.8 -46.2 88.13 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.9 t -64.03 -56.98 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.29 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.72 -27.98 31.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 17.5 mttt -73.21 -51.81 16.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 109.351 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.4 t -50.31 -40.89 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.29 -68.44 1.65 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.54 1.15 . . . . 0.0 110.998 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 106' ' ' SER . 94.3 t -60.94 161.53 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.531 0.783 . . . . 0.0 109.255 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 105' ' ' VAL . 1.0 OUTLIER -69.06 106.64 2.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.423 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 8.8 ttp -121.91 139.69 53.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.443 ' O ' ' CB ' ' A' ' 109' ' ' ASN . 1.1 m-85 -44.36 -60.25 2.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 110.995 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.443 ' CB ' ' O ' ' A' ' 108' ' ' PHE . 9.1 t-20 77.77 177.86 0.15 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 109.335 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 74.4 mtt85 60.89 125.91 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -34.78 3.6 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.476 1.777 . . . . 0.0 111.066 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 109.599 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.471 0.177 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -166.86 136.8 3.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 170.71 -65.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 109.324 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.7 m -49.75 -66.51 0.38 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 110.376 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.47 177.2 6.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.976 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.6 p -178.67 -37.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.476 HG22 ' HA ' ' A' ' 88' ' ' PRO . 19.1 t -65.64 -33.01 60.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.755 HG22 ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 174.3 161.37 0.35 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.755 ' HD2' HG22 ' A' ' 8' ' ' VAL . 18.2 Cg_endo -74.97 172.91 15.44 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.513 1.796 . . . . 0.0 110.994 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 2.4 tp -57.9 -72.27 0.09 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.353 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.461 ' C ' ' O ' ' A' ' 10' ' ' LEU . 29.9 m170 -34.3 -65.54 0.2 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.626 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.403 ' HB2' ' HD2' ' A' ' 9' ' ' PRO . 0.7 OUTLIER -42.86 -54.07 4.35 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.034 -1.098 . . . . 0.0 108.034 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.515 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 3.4 t80 -41.61 -50.25 4.1 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 110.992 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.54 -43.05 97.91 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.497 1.123 . . . . 0.0 110.972 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.517 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 t80 -69.32 -27.95 65.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 0.761 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.514 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -75.86 -38.26 36.72 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.989 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -67.76 -52.86 32.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 0.755 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.509 ' O ' HG12 ' A' ' 21' ' ' VAL . . . -63.96 -46.47 84.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.517 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -67.5 -22.86 65.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.597 HD23 ' N ' ' A' ' 21' ' ' VAL . 0.1 OUTLIER -68.71 -54.19 17.64 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.538 1.149 . . . . 0.0 109.291 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.597 ' N ' HD23 ' A' ' 20' ' ' LEU . 6.2 p -59.24 -42.59 87.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.526 ' O ' HG22 ' A' ' 26' ' ' ILE . . . -63.64 -64.31 0.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.274 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.671 ' O ' HG22 ' A' ' 27' ' ' ILE . 3.3 t -47.15 -68.62 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.995 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA2' HG22 ' A' ' 27' ' ' ILE . . . -50.55 -29.64 18.15 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.528 1.143 . . . . 0.0 110.996 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.31 -81.31 0.13 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.936 -0.866 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.526 HG22 ' O ' ' A' ' 22' ' ' ALA . 0.6 OUTLIER -53.98 -49.16 62.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.468 0.746 . . . . 0.0 109.329 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.671 HG22 ' O ' ' A' ' 23' ' ' SER . 2.8 tt -61.16 -25.03 35.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -70.26 -74.95 0.63 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -52.42 -46.25 66.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.456 0.739 . . . . 0.0 111.017 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.402 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 42.9 t -75.0 -21.53 16.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.138 . . . . 0.0 109.331 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.728 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.4 OUTLIER 81.47 -67.03 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.123 . . . . 0.0 109.273 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.728 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.01 50.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.27 44.45 1.42 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.501 1.126 . . . . 0.0 111.024 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.799 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.0 t -91.19 -142.25 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 0.765 . . . . 0.0 109.979 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.799 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 170.91 -53.71 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.484 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -49.78 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.515 1.797 . . . . 0.0 111.0 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.471 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 1.1 m -60.49 -54.93 39.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 109.985 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 tt -52.82 -50.7 63.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -56.19 -32.6 64.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.433 1.083 . . . . 0.0 109.242 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.471 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.79 -33.28 70.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.571 1.169 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.01 -39.26 89.06 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.491 1.119 . . . . 0.0 111.001 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -65.85 -55.18 18.39 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 0.765 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -50.37 -65.7 0.52 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -18.61 60.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.83 -64.37 4.01 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.475 1.109 . . . . 0.0 110.985 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.564 ' HB2' HD12 ' A' ' 50' ' ' LEU . 0.7 OUTLIER -66.9 -33.11 74.87 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 0.738 . . . . 0.0 110.007 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.88 -32.74 74.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.35 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -74.93 -57.59 3.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.46 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.9 -58.38 14.36 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.502 1.126 . . . . 0.0 110.976 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.564 HD12 ' HB2' ' A' ' 46' ' ' SER . 2.2 mt -62.32 -55.6 26.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 0.792 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.509 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -44.69 -65.53 1.73 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.642 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -56.13 -27.93 55.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 0.778 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.609 ' O ' ' CD1' ' A' ' 53' ' ' TYR . 28.5 t80 -89.73 2.01 55.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.5 mt-30 -140.41 -76.89 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' A' ' 51' ' ' GLY . 18.4 tp -178.11 131.07 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.1 m 170.27 -46.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.045 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -125.39 102.04 7.23 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.343 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 69.48 109.69 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -29.86 7.75 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.448 1.762 . . . . 0.0 110.953 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -56.58 -82.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 32.7 m-80 -41.78 -54.04 3.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.154 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.642 HG22 ' O ' ' A' ' 52' ' ' ALA . 2.3 t -44.17 -51.08 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 6.4 t90 -51.86 -47.95 64.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 107.998 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.2 t -53.7 -38.07 33.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.515 1.135 . . . . 0.0 109.302 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -75.2 -27.19 59.49 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -65.09 -51.03 63.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.07 -42.46 80.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 15.9 m -51.05 -72.29 0.05 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.399 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.84 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 0.4 OUTLIER -66.1 -19.6 65.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 1.121 . . . . 0.0 110.059 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.95 -60.45 8.87 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.484 1.115 . . . . 0.0 110.961 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.421 HG23 ' N ' ' A' ' 72' ' ' LEU . 9.0 t -81.33 -48.49 11.9 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.453 0.737 . . . . 0.0 110.376 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.421 ' N ' HG23 ' A' ' 71' ' ' THR . 0.2 OUTLIER -51.0 -57.1 9.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.84 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -76.11 -32.21 59.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.12 . . . . 0.0 109.264 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.98 -44.92 19.28 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.494 1.121 . . . . 0.0 110.997 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 35.3 mm -63.29 -63.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.63 179.93 0.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 111.014 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -89.39 -127.39 3.12 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.468 1.105 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -101.3 89.79 3.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.546 0.792 . . . . 0.0 110.994 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 34.9 mtt85 -142.12 169.51 17.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.299 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.562 ' HB3' ' CD2' ' A' ' 81' ' ' TYR . 0.6 OUTLIER -121.47 -65.22 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.128 . . . . 0.0 110.984 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.562 ' CD2' ' HB3' ' A' ' 80' ' ' PHE . 15.2 p90 -140.49 135.06 31.56 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 111.018 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.523 ' O ' ' CB ' ' A' ' 83' ' ' SER . 42.3 t60 -45.98 -75.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.577 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.523 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.3 OUTLIER 86.78 36.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.571 1.17 . . . . 0.0 109.967 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -128.14 53.08 0.81 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.52 1.137 . . . . 0.0 110.996 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 34.7 mttt -125.34 -45.9 1.8 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 0.768 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.415 ' O ' ' SD ' ' A' ' 87' ' ' MET . 66.6 t80 53.27 82.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.482 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER 170.23 -53.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.482 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.1 Cg_endo -74.99 -66.63 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.519 1.8 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -103.68 126.16 50.64 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.438 1.086 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -82.14 50.28 4.27 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.474 1.108 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 mt -67.94 -70.45 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 0.745 . . . . 0.0 109.29 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.865 ' O ' HD13 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -67.97 -33.17 59.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.335 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.38 -72.84 0.14 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.288 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -46.46 -47.3 17.16 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.476 1.11 . . . . 0.0 111.009 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.6 -54.07 25.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 0.741 . . . . 0.0 109.291 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.553 ' O ' HG23 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -60.43 -27.77 67.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.946 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.32 -27.11 59.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.33 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.38 -46.09 28.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.257 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.852 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -64.8 -41.97 95.4 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 96' ' ' SER . 54.5 t -67.01 -51.07 58.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.549 1.155 . . . . 0.0 109.308 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -55.07 -51.86 65.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -51.9 -48.73 64.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 99' ' ' MET . 79.0 t -54.66 -39.62 47.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -74.12 -81.07 0.46 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.467 1.104 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 4.2 p -111.85 166.27 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 0.73 . . . . 0.0 109.264 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 73.62 136.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.982 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 4.8 ttm -37.81 149.63 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.542 ' CD2' ' HA ' ' A' ' 103' ' ' VAL . 8.7 p90 -173.06 102.74 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -121.65 119.87 33.08 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 2.3 mmt85 -70.89 158.82 87.25 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 110.265 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 112.55 3.59 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.519 1.799 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 44.7 t60 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.584 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.544 0.211 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 50.04 98.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 110.262 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -155.38 170.93 20.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.347 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.584 HG22 ' H ' ' A' ' 5' ' ' SER . 49.8 m 51.51 176.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.395 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.584 ' H ' HG22 ' A' ' 4' ' ' THR . 0.9 OUTLIER -39.23 113.64 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.06 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 10.7 t -37.25 -44.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.979 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.657 ' CG1' ' HB3' ' A' ' 89' ' ' ALA . 0.0 OUTLIER -154.1 -45.8 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 9' ' ' PRO . 1.1 m -122.15 164.73 23.93 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.504 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -74.98 176.12 10.33 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.521 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -55.07 -71.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.1 OUTLIER -35.92 -65.33 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.615 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.504 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 3.1 t-105 -43.66 -52.18 6.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 107.991 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.521 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.8 t80 -43.23 -49.91 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 110.971 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -59.75 -41.08 97.38 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.505 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 51.6 t80 -69.24 -31.62 70.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 0.756 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.54 -44.1 65.68 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.487 1.117 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -64.77 -52.2 58.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.87 -41.24 99.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.102 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -69.3 -23.87 63.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.27 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 5.7 tp -71.14 -50.26 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.2 t -60.1 -50.25 80.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.36 -40.82 98.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.51 ' C ' HD12 ' A' ' 27' ' ' ILE . 4.2 m -58.83 -69.25 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.14 -22.61 36.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.02 -74.75 0.52 Allowed Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.436 ' O ' HG23 ' A' ' 30' ' ' VAL . 2.7 mp -59.89 -38.62 77.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.49 0.759 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.54 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 42.6 mt -68.55 -24.91 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -74.69 -70.16 1.29 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.497 1.123 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -52.87 -41.83 64.69 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 0.757 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 26' ' ' ILE . 15.5 t -83.74 -18.44 10.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.544 1.152 . . . . 0.0 109.35 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.54 ' CA ' ' O ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER 73.88 -63.04 0.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 109.326 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.1 -59.49 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 109.292 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.555 ' O ' ' CB ' ' A' ' 34' ' ' SER . . . 146.79 -12.34 1.49 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.992 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.555 ' CB ' ' O ' ' A' ' 33' ' ' GLY . 0.3 OUTLIER 89.99 148.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.991 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -78.57 -43.68 1.98 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -75.02 -52.4 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.475 1.776 . . . . 0.0 111.032 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 1.8 t -50.04 -62.33 1.64 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.0 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 ' C ' HD23 ' A' ' 38' ' ' LEU . 8.3 tt -53.8 -42.8 68.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -52.5 -40.91 62.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.315 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.34 -32.99 73.49 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.335 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -66.34 -39.5 94.29 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.0 tp -66.75 -60.82 2.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -45.89 -62.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 1.7 t80 -62.79 -20.84 65.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 110.956 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -59.49 -63.58 5.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 93.9 p -66.93 -44.95 79.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 0.772 . . . . 0.0 110.044 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.413 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 2.4 tm? -56.02 -29.35 60.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.496 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -77.17 -70.59 0.46 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -43.96 -55.47 5.59 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.518 1.136 . . . . 0.0 111.032 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 54' ' ' GLN . 8.8 mp -67.03 -44.38 80.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 0.736 . . . . 0.0 109.335 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -44.61 -47.64 8.94 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.508 1.13 . . . . 0.0 110.973 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.98 -22.2 29.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 0.769 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.422 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 2.4 t80 -111.18 43.42 1.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 110.981 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' N ' ' O ' ' A' ' 50' ' ' LEU . 0.9 OUTLIER -176.66 -72.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 175.31 134.78 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.9 t 167.08 -44.72 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 110.055 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -123.85 103.5 8.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.676 ' O ' HG22 ' A' ' 62' ' ' VAL . 1.1 m-20 63.33 126.58 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.543 ' HA ' ' CG2' ' A' ' 62' ' ' VAL . 18.5 Cg_endo -74.97 -20.48 16.91 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.519 1.799 . . . . 0.0 111.036 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.497 ' O ' ' C ' ' A' ' 61' ' ' ASN . 0.9 OUTLIER -65.47 -84.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.324 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.497 ' C ' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -32.81 -66.07 0.15 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 1.143 . . . . 0.0 109.33 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 58' ' ' ASP . 16.3 m -39.58 -55.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.497 ' N ' HG23 ' A' ' 62' ' ' VAL . 60.7 t90 -50.01 -50.65 46.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 107.975 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.428 ' N ' ' O ' ' A' ' 61' ' ' ASN . 22.0 t -51.4 -39.46 22.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.325 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -72.69 -30.32 64.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.449 1.093 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -62.79 -48.03 80.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.81 -41.78 78.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.6 m -53.84 -75.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.416 ' CB ' ' CE1' ' A' ' 53' ' ' TYR . 0.1 OUTLIER -63.99 -19.66 65.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.981 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.5 -56.1 26.88 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 0.0 110.973 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 13.6 m -79.81 -42.32 24.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 0.772 . . . . 0.0 110.326 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.29 -58.14 7.58 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -77.61 -28.8 51.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.1 -60.43 5.61 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 11.1 pt -48.43 -34.55 5.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.49 0.759 . . . . 0.0 109.247 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.36 -167.68 1.54 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.8 -154.68 22.72 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 111.008 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -87.75 153.86 21.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 0.748 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 61.76 92.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.474 1.109 . . . . 0.0 110.319 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -171.28 127.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -165.34 168.5 16.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.973 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -72.94 97.33 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.574 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 72.4 m -107.73 68.8 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.044 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.77 123.43 8.11 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.904 ' HG3' ' HB2' ' A' ' 93' ' ' ALA . 10.7 ttpt -87.79 62.41 6.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 0.76 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -168.54 169.75 10.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.512 1.132 . . . . 0.0 111.005 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 62.41 171.27 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 56.36 4.23 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.657 ' HB3' ' CG1' ' A' ' 7' ' ' VAL . . . -175.42 70.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -130.98 107.76 0.77 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.543 1.152 . . . . 0.0 110.973 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.573 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -64.86 -49.28 71.18 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.308 -179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 46.4 mm -66.73 -60.57 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.904 ' HB2' ' HG3' ' A' ' 85' ' ' LYS . . . -48.52 -69.0 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.85 -49.97 8.85 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.464 1.102 . . . . 0.0 111.013 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.573 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.64 -57.29 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 0.767 . . . . 0.0 109.242 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.534 ' O ' HG23 ' A' ' 100' ' ' VAL . 3.0 t -54.24 -30.16 49.21 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.018 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.22 -36.13 69.07 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.1 mp -68.21 -62.9 1.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 45.1 mtt -50.41 -44.43 55.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 96' ' ' SER . 3.9 t -56.49 -54.87 23.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -58.61 -33.94 70.58 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.12 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 12.8 mttt -61.0 -61.18 2.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.7 t -57.42 -26.02 25.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . 0.409 ' C ' HG23 ' A' ' 105' ' ' VAL . . . -63.96 -66.26 2.61 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.47 1.107 . . . . 0.0 110.968 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.409 HG23 ' C ' ' A' ' 104' ' ' GLY . 96.7 t -152.15 85.79 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.463 0.743 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 170.93 154.33 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.986 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.12 146.22 6.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 111.05 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.417 ' CG ' ' N ' ' A' ' 109' ' ' ASN . 90.0 t80 -177.8 169.04 2.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.978 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.2 t-20 170.32 119.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 0.0 109.335 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 11.0 mtt180 -73.66 157.89 86.98 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 62.45 5.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.496 1.787 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.603 179.992 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.324 0 CA-C-O 120.49 0.186 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 3' ' ' ASP . 0.7 OUTLIER -156.72 158.61 37.24 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 110.265 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 2' ' ' GLN . 0.6 OUTLIER 50.41 -179.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 0.0 109.301 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.508 ' O ' ' CB ' ' A' ' 5' ' ' SER . 40.6 p 38.0 80.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 4' ' ' THR . 1.0 OUTLIER 85.7 -47.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 70.6 -59.74 0.52 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.108 . . . . 0.0 110.018 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.908 HG12 ' HA ' ' A' ' 88' ' ' PRO . 3.6 m -125.4 -45.91 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.3 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 7' ' ' VAL . 34.9 m -157.53 157.8 30.22 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 109.307 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.49 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.4 Cg_endo -75.03 175.07 11.72 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.44 1.758 . . . . 0.0 111.039 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -56.88 -65.42 0.62 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.113 . . . . 0.0 109.303 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -39.15 -62.81 0.6 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.588 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.49 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.2 t90 -47.03 -48.14 22.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 108.017 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -47.23 -45.37 23.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.536 1.147 . . . . 0.0 110.974 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -68.67 -33.13 75.45 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.548 1.155 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -71.18 -36.4 71.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 0.762 . . . . 0.0 111.003 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.689 ' O ' HD12 ' A' ' 20' ' ' LEU . . . -75.13 -38.82 38.94 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.552 1.158 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -64.77 -53.35 48.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.994 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.27 78.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.138 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.504 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -61.46 -26.62 68.01 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.122 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.689 HD12 ' O ' ' A' ' 16' ' ' GLY . 1.0 OUTLIER -70.79 -54.95 9.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.331 179.954 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 86.3 t -50.88 -57.87 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 26' ' ' ILE . . . -59.44 -43.93 93.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.249 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 4.1 t -52.72 -83.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 110.02 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.431 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -52.34 -18.66 5.18 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.545 1.153 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.2 -75.38 0.32 Allowed Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.515 HG22 ' O ' ' A' ' 22' ' ' ALA . 9.1 tt -73.53 -38.29 52.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 109.303 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.512 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 50.9 mt -63.93 -28.0 44.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.431 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.37 -71.39 1.26 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 111.01 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -44.9 -44.91 10.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 0.746 . . . . 0.0 110.985 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.493 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 38.5 t -84.08 -27.22 7.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 87.53 -50.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.315 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.88 -167.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.23 -7.64 81.2 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.492 1.12 . . . . 0.0 110.949 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.49 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 2.2 m -52.74 121.01 6.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 0.754 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.608 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 1.5 t -82.19 -46.08 0.99 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.107 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.608 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.97 -56.49 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.494 1.786 . . . . 0.0 111.028 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.49 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.5 OUTLIER -41.15 -61.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 34' ' ' SER . 0.3 OUTLIER -55.27 -46.77 76.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.286 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -52.97 -35.5 59.12 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -72.95 -33.03 65.65 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.27 -33.82 73.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.427 1.08 . . . . 0.0 110.997 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -71.1 -59.11 2.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 0.78 . . . . 0.0 109.259 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.86 -63.72 1.05 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.64 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 4.3 t80 -65.1 -18.48 65.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -62.04 -69.81 1.2 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.4 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -63.73 -39.8 95.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 110.015 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 1.4 tp -61.22 -30.04 70.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.252 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.64 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -73.01 -64.3 1.0 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -53.4 -61.58 6.86 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 54' ' ' GLN . 38.3 mt -57.34 -46.73 83.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.526 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -53.3 -40.53 60.72 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.126 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -73.01 -26.37 61.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 0.797 . . . . 0.0 109.292 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 65' ' ' PHE . 56.0 t80 -84.99 -60.14 2.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.677 ' HA ' HG23 ' A' ' 62' ' ' VAL . 7.4 mt-30 -84.47 8.22 17.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 110.259 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 56' ' ' SER . 0.2 OUTLIER 68.11 -59.05 0.44 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 87.91 19.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -149.54 -53.98 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.146 . . . . 0.0 110.266 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -102.4 129.36 26.26 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -74.96 -22.63 14.69 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.488 1.783 . . . . 0.0 110.979 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -66.31 -69.88 0.28 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 110.281 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' ARG . 24.2 m-80 -37.02 -62.98 0.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' A' ' 54' ' ' GLN . 3.6 p -43.43 -53.67 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.472 ' HB3' ' O ' ' A' ' 60' ' ' ARG . 0.1 OUTLIER -46.46 -49.64 18.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 107.999 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 60' ' ' ARG . 16.5 t -53.7 -44.31 58.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.32 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.568 ' HB3' ' CE1' ' A' ' 53' ' ' TYR . 3.4 m-85 -71.47 -24.16 61.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.1 tt -64.75 -53.34 48.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -67.49 -38.5 84.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 53.1 m -55.69 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.385 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.598 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 4.3 m -64.08 -17.25 63.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.029 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -60.4 -52.19 54.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 23.7 m -81.93 -45.3 15.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 110.411 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.1 -54.72 31.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.598 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -76.31 -43.91 39.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 109.306 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.402 ' O ' ' C ' ' A' ' 75' ' ' ILE . . . -47.84 -27.89 5.1 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.501 1.126 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.755 ' O ' HD13 ' A' ' 75' ' ' ILE . 0.2 OUTLIER -39.84 -34.07 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.49 0.759 . . . . 0.0 109.254 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -166.12 150.16 7.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.991 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 59.5 168.9 0.3 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.514 1.134 . . . . 0.0 110.978 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 5.5 ttt -93.28 -56.7 2.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 0.758 . . . . 0.0 111.025 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.87 86.69 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 110.309 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -166.7 175.15 8.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 111.041 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 17.7 p90 -169.3 -177.47 2.85 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 1.138 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -69.38 -164.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 0.0 109.63 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.9 p -164.6 40.89 0.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.031 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 46.03 -136.89 8.12 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.463 1.102 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 28.2 tttm -166.41 53.07 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.331 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 87' ' ' MET . 55.8 t80 55.66 95.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.474 ' N ' ' CD ' ' A' ' 88' ' ' PRO . 0.1 OUTLIER 165.81 -52.68 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.994 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.908 ' HA ' HG12 ' A' ' 7' ' ' VAL . 18.1 Cg_endo -75.04 -8.17 19.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.543 1.812 . . . . 0.0 111.005 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . 178.32 -71.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 108.21 69.38 0.67 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.425 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 3.6 tt -72.13 -60.74 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 109.337 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.2 tp -62.89 -34.01 63.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -64.8 -75.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.88 -49.65 12.74 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.448 1.093 . . . . 0.0 110.955 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.425 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.74 -55.08 15.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.532 0.783 . . . . 0.0 109.313 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.681 ' O ' HG23 ' A' ' 100' ' ' VAL . 4.8 m -56.41 -30.71 63.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 110.024 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.04 -30.65 62.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.2 mt -70.92 -52.74 18.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.428 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.5 OUTLIER -59.52 -44.46 93.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.983 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 96' ' ' SER . 42.9 t -58.29 -56.85 13.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.23 -36.52 71.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -59.88 -52.74 64.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.114 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.504 HG22 ' CE1' ' A' ' 108' ' ' PHE . 70.5 t -56.94 -36.97 52.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.34 -78.68 0.29 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.478 1.111 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.5 m -112.62 -177.74 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.525 0.779 . . . . 0.0 109.325 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.2 m 61.05 148.64 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.023 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -41.39 149.89 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 111.0 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.504 ' CE1' HG22 ' A' ' 103' ' ' VAL . 6.3 t80 -157.18 149.14 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.411 1.069 . . . . 0.0 110.999 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 12.2 t30 175.35 132.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.308 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 110' ' ' ARG . 1.3 mtp-105 -108.13 163.73 16.32 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 103.91 1.81 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.462 1.769 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.584 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpp? . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.504 0.192 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -174.93 -39.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.318 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -71.21 179.38 2.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.8 m -43.37 164.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.403 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.686 ' O ' HG12 ' A' ' 7' ' ' VAL . 55.9 p -38.33 -57.08 1.16 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m 54.95 28.75 11.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 5' ' ' SER . 4.1 p -158.1 -49.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.593 HG13 HG22 ' A' ' 7' ' ' VAL . 20.0 m -133.12 151.52 77.96 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 155.95 43.0 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.519 1.8 . . . . 0.0 111.054 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.476 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -46.19 -57.19 4.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.335 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -40.28 -60.07 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 109.607 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.5 t90 -45.53 -49.83 13.45 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.002 -1.11 . . . . 0.0 108.002 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.476 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -48.07 -46.7 33.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.998 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.67 -34.89 91.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.4 t80 -69.64 -33.92 73.3 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.978 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.64 -46.51 46.6 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.472 1.107 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -61.54 -49.42 76.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 0.758 . . . . 0.0 110.936 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.28 -40.12 95.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -70.09 -23.09 63.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.412 HD22 ' HA ' ' A' ' 20' ' ' LEU . 0.2 OUTLIER -71.17 -60.74 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.302 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.488 HG13 ' N ' ' A' ' 22' ' ' ALA . 10.5 p -53.39 -51.23 43.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -58.45 -53.44 58.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.513 1.133 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.572 ' CA ' HD12 ' A' ' 27' ' ' ILE . 8.6 m -49.03 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 110.005 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.436 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.56 -24.74 2.85 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.44 -71.34 0.78 Allowed Glycine 0 CA--C 1.529 0.961 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.707 ' O ' HG12 ' A' ' 30' ' ' VAL . 2.8 mp -75.76 -48.14 30.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.481 0.753 . . . . 0.0 109.248 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.572 HD12 ' CA ' ' A' ' 23' ' ' SER . 55.9 mt -54.54 -28.89 19.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.339 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.78 -64.48 2.04 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.556 1.16 . . . . 0.0 110.992 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -40.8 -52.16 3.03 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.44 0.73 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.707 HG12 ' O ' ' A' ' 26' ' ' ILE . 9.7 p -84.14 -23.78 7.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 18.8 tttt 87.43 -50.79 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.266 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.87 171.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.108 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 115.66 -0.77 21.75 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.092 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.485 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -62.42 118.72 7.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.55 0.794 . . . . 0.0 109.976 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.637 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.1 t -79.93 -44.71 1.5 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -75.03 -53.22 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.539 1.81 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.485 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 0.2 OUTLIER -48.49 -56.34 8.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.964 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.445 HD13 ' O ' ' A' ' 38' ' ' LEU . 0.3 OUTLIER -54.89 -49.49 71.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.442 1.088 . . . . 0.0 109.292 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.0 -33.64 57.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.3 -35.2 73.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.37 -32.61 75.86 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.495 1.122 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.67 -60.26 2.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 0.772 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -51.97 -63.3 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.517 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 0.5 OUTLIER -63.17 -19.19 64.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.69 -68.77 1.52 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.498 1.124 . . . . 0.0 111.047 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.56 -41.17 98.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 0.75 . . . . 0.0 110.019 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.422 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.3 OUTLIER -59.4 -38.33 80.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 109.34 179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.532 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -67.59 -53.59 26.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.445 1.09 . . . . 0.0 109.263 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.408 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -58.93 -69.94 1.14 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.044 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.504 HD13 ' HA ' ' A' ' 50' ' ' LEU . 0.4 OUTLIER -53.33 -59.17 4.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 0.76 . . . . 0.0 109.322 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' O ' ' CA ' ' A' ' 55' ' ' LEU . . . -46.28 -67.57 1.32 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.532 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -42.55 -32.9 0.61 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 0.784 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.496 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -69.99 85.34 0.52 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 111.011 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.457 ' HB2' ' CB ' ' A' ' 65' ' ' PHE . 27.9 mm-40 65.93 24.05 11.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.275 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.505 ' CA ' ' O ' ' A' ' 51' ' ' GLY . 0.2 OUTLIER 73.27 170.38 0.31 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.427 1.08 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.5 t -107.54 -15.82 14.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.985 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' C ' ' A' ' 58' ' ' ASP . 1.3 tt0 -100.39 -60.77 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.519 ' O ' HG23 ' A' ' 62' ' ' VAL . 31.1 t0 -39.62 113.61 0.88 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -40.99 0.72 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.531 1.806 . . . . 0.0 110.951 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -60.85 -70.97 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 2.8 m120 -43.15 -52.61 5.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.519 HG23 ' O ' ' A' ' 58' ' ' ASP . 2.5 t -44.98 -50.22 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -53.02 -47.18 68.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 108.021 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 56.1 t -58.46 -34.11 49.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -73.09 -26.61 61.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.44 -58.14 3.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.298 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.69 -32.42 73.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.2 m -61.16 -66.05 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 110.403 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 20.6 t -48.77 -44.24 38.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.966 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.02 -61.2 7.71 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 18.8 m -61.89 -18.0 58.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 0.762 . . . . 0.0 110.421 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.406 HD21 ' HB3' ' A' ' 80' ' ' PHE . 0.4 OUTLIER -81.56 -29.45 33.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.411 ' HB2' ' CE2' ' A' ' 81' ' ' TYR . . . -81.35 -30.57 33.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.08 -54.59 2.56 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.51 1.131 . . . . 0.0 111.007 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' A' ' 76' ' ' MET . 10.5 mm -92.87 -59.29 3.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.528 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 9.2 ttp 83.34 122.18 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 110.999 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -56.6 -110.33 0.01 OUTLIER Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.514 1.134 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -102.36 -74.73 0.62 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.419 0.717 . . . . 0.0 111.011 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.452 HH21 ' NZ ' ' A' ' 85' ' ' LYS . 9.9 mmt-85 -133.17 109.11 9.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 2.1 t80 -179.87 167.88 1.32 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.004 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.437 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 4.5 t80 70.15 -58.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.45 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -53.8 -85.46 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.584 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.9 OUTLIER 162.51 -28.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 109.996 -179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 78.71 -84.1 1.22 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.546 1.154 . . . . 0.0 110.953 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.452 ' NZ ' HH21 ' A' ' 79' ' ' ARG . 0.0 OUTLIER -178.2 -57.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 0.758 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.468 ' CD1' ' N ' ' A' ' 87' ' ' MET . 43.1 p90 178.52 -38.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.973 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.506 ' CB ' ' HD3' ' A' ' 88' ' ' PRO . 0.0 OUTLIER -40.06 -53.91 4.73 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 111.015 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.506 ' HD3' ' CB ' ' A' ' 87' ' ' MET . 18.3 Cg_endo -74.94 -33.85 4.35 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.485 1.782 . . . . 0.0 110.982 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 91' ' ' LEU . . . -169.94 118.24 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -68.57 58.26 0.47 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 0.0 110.981 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.516 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -71.69 -68.82 0.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.485 0.756 . . . . 0.0 109.265 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 2.0 tp -63.85 -40.24 88.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.322 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.39 -69.86 0.27 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.39 21.29 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.479 1.112 . . . . 0.0 110.963 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.516 ' CB ' ' O ' ' A' ' 91' ' ' LEU . . . -49.13 -59.38 3.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.29 -29.86 35.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.6 tp -72.98 -37.82 66.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.62 -51.38 50.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 1.9 ttp -57.36 -43.73 83.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.959 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.638 ' O ' HG12 ' A' ' 103' ' ' VAL . 2.3 t -59.51 -46.09 93.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.638 ' O ' HG13 ' A' ' 105' ' ' VAL . . . -67.54 -29.93 69.44 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.112 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.471 ' CG ' ' HB3' ' A' ' 108' ' ' PHE . 6.0 ttmt -63.07 -46.04 89.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.638 HG12 ' O ' ' A' ' 100' ' ' VAL . 12.8 p -71.61 -31.27 41.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.122 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -65.25 -46.59 86.64 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.538 1.149 . . . . 0.0 110.994 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.638 HG13 ' O ' ' A' ' 101' ' ' ALA . 13.2 m -71.35 -156.61 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.483 ' O ' ' CB ' ' A' ' 107' ' ' MET . 1.7 m -121.41 177.64 5.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.483 ' CB ' ' O ' ' A' ' 106' ' ' SER . 0.0 OUTLIER 80.21 -72.09 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.471 ' HB3' ' CG ' ' A' ' 102' ' ' LYS . 67.5 m-85 -76.76 140.73 40.88 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.4 t-20 -148.96 -56.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.145 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -179.54 146.74 0.46 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 110.308 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 86.95 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.477 1.777 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 80.4 t60 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.581 1.176 . . . . 0.0 109.582 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ttt . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.514 0.197 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -129.03 172.23 11.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.299 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -177.31 161.44 1.8 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.427 1.079 . . . . 0.0 109.319 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.474 HG22 ' N ' ' A' ' 5' ' ' SER . 77.7 m 53.79 170.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 4' ' ' THR . 48.4 m -74.75 57.34 0.76 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 0.0 110.022 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.93 -13.01 62.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.524 HG23 ' N ' ' A' ' 8' ' ' VAL . 27.4 m -112.15 -52.24 5.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.609 HG23 ' HD2' ' A' ' 9' ' ' PRO . 3.5 p -178.41 141.82 0.42 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.341 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.609 ' HD2' HG23 ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.04 -178.9 4.5 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.968 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.492 ' O ' ' C ' ' A' ' 11' ' ' HIS . 1.7 tm? -65.52 -75.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.091 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.492 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -32.2 -62.14 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.597 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.492 ' HB3' ' CG2' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -44.5 -58.05 3.22 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.152 . . . . 0.0 108.018 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 10' ' ' LEU . 11.2 t80 -40.86 -45.31 2.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -60.38 -46.68 93.87 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.422 1.076 . . . . 0.0 111.031 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -65.29 -45.64 83.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 0.795 . . . . 0.0 110.994 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.24 -38.96 97.31 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -61.23 -56.45 20.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 0.766 . . . . 0.0 110.996 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.59 -34.07 74.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.505 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -71.31 -26.42 62.84 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.318 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 4.3 tp -71.42 -59.93 2.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 22' ' ' ALA . 32.7 m -51.55 -52.07 22.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.508 1.13 . . . . 0.0 109.266 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.491 ' N ' HG23 ' A' ' 21' ' ' VAL . . . -60.44 -48.47 81.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.791 ' OG ' HD12 ' A' ' 27' ' ' ILE . 12.7 t -53.28 -82.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.021 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.417 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -44.57 -27.2 1.23 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.547 1.154 . . . . 0.0 111.026 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.45 -77.96 0.16 Allowed Glycine 0 CA--C 1.529 0.963 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mp -68.56 -46.86 79.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.465 0.744 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.791 HD12 ' OG ' ' A' ' 23' ' ' SER . 58.7 mt -55.42 -28.43 22.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.73 -75.06 1.01 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 26.0 t80 -45.49 -42.41 10.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 0.778 . . . . 0.0 110.979 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 25.5 t -83.72 -28.56 7.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.137 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.735 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.0 tttt 84.7 -59.18 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.735 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.74 152.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.97 4.74 7.77 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.545 1.153 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 1.9 m -68.07 124.71 24.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.697 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 58.2 t -78.2 -40.64 1.91 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.697 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.02 -44.68 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.53 1.805 . . . . 0.0 111.006 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 14.3 m -55.34 -56.48 19.58 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 110.014 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.7 mp -55.03 -49.58 71.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.47 -33.4 59.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -71.03 -34.57 71.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.89 -33.69 80.37 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.553 1.158 . . . . 0.0 111.004 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.4 mp -69.91 -58.58 3.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 0.758 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.99 -64.37 0.83 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 27.8 m-85 -65.08 -18.01 64.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.39 -71.0 0.87 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 70.4 p -64.89 -36.29 83.89 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 0.752 . . . . 0.0 110.009 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.444 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 5.8 tt -59.68 -42.87 93.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 52' ' ' ALA . . . -64.53 -54.87 25.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -59.45 -75.01 0.29 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.524 1.14 . . . . 0.0 111.014 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -47.55 -57.79 5.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 0.739 . . . . 0.0 109.276 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 54' ' ' GLN . . . -47.04 -68.93 0.99 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.459 ' CB ' ' O ' ' A' ' 48' ' ' ALA . . . -41.32 -30.66 0.19 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.498 ' CD2' ' CE1' ' A' ' 65' ' ' PHE . 4.4 m-85 -115.0 46.93 1.34 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.706 ' CD ' HG21 ' A' ' 62' ' ' VAL . 3.7 tt0 -173.91 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.104 . . . . 0.0 110.26 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER 82.78 1.63 1.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.274 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 55' ' ' LEU . 0.3 OUTLIER 38.16 31.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' LEU . 3.1 mt-30 -154.46 -86.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.593 ' O ' HG12 ' A' ' 62' ' ' VAL . 2.5 t70 -52.28 115.44 6.89 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.539 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.99 -32.9 5.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 61' ' ' ASN . 25.6 ttm-85 -61.87 -68.71 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.137 . . . . 0.0 110.336 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 60' ' ' ARG . 2.3 m120 -39.21 -67.08 0.23 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.484 1.115 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.706 HG21 ' CD ' ' A' ' 54' ' ' GLN . 3.7 p -40.36 -47.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.315 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.74 -55.25 11.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 107.977 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 81.6 t -52.04 -37.89 22.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.51 ' HA ' HG22 ' A' ' 68' ' ' THR . 0.7 OUTLIER -70.42 -32.99 70.82 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.402 ' O ' ' HA3' ' A' ' 70' ' ' GLY . 0.4 OUTLIER -72.75 -27.39 62.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.341 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -76.01 -56.99 4.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.314 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.51 HG22 ' HA ' ' A' ' 65' ' ' PHE . 1.7 t -50.26 -56.31 11.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.372 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.5 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 13.2 t -73.84 -24.0 59.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.96 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 66' ' ' LEU . . . -61.31 -41.58 99.55 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.1 p -85.3 -49.57 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 0.795 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.7 mp -52.34 -45.1 65.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -85.02 -36.5 21.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.349 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.01 -46.96 20.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 37.3 mt -43.17 -32.38 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 0.756 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -124.77 -171.75 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -76.36 -155.13 5.81 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.47 1.107 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 3.5 ttt -84.94 93.92 8.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 0.787 . . . . 0.0 111.038 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -147.0 -63.41 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.434 1.084 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 12.0 t80 56.24 165.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 2.4 t80 59.02 112.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -57.03 -170.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.515 1.134 . . . . 0.0 109.598 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.57 61.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.979 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.458 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -153.62 85.8 0.14 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.458 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.0 OUTLIER 167.44 -31.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.683 ' CD1' ' CB ' ' A' ' 93' ' ' ALA . 27.8 t80 57.36 14.21 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.492 ' SD ' HG12 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -69.35 -51.75 16.52 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.446 1.091 . . . . 0.0 110.988 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.483 ' CD ' ' N ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -75.01 85.78 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 0.0 110.972 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' A' ' 88' ' ' PRO . . . 70.06 -72.3 0.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.414 ' HA3' ' CD1' ' A' ' 86' ' ' PHE . . . 130.48 85.01 0.35 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.55 -62.59 1.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 0.775 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -60.08 -42.3 89.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.683 ' CB ' ' CD1' ' A' ' 86' ' ' PHE . . . -60.3 -73.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.429 1.081 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.97 -46.45 9.46 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -46.87 -63.65 0.97 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.306 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.48 -29.27 35.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.007 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.423 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -68.24 -40.23 82.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.6 -45.01 73.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -54.33 -54.54 39.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 97' ' ' LEU . 11.0 p -57.93 -44.04 85.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.83 -49.3 71.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.348 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 15.9 mttt -55.45 -48.0 75.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.318 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 53.4 t -51.93 -44.03 37.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -67.45 -76.27 0.41 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.527 1.142 . . . . 0.0 110.954 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.8 p -50.01 164.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.569 0.805 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.4 108.05 19.42 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -118.46 179.01 4.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 111.022 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -72.93 -44.01 61.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.124 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 54.43 -174.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.69 105.27 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -19.86 17.39 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.478 1.778 . . . . 0.0 111.011 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.61 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ptp . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 120.521 0.201 . . . . 0.0 110.994 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -157.84 148.05 20.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 110.31 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.598 ' O ' HG22 ' A' ' 4' ' ' THR . 0.2 OUTLIER -150.82 165.4 33.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.313 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.598 HG22 ' O ' ' A' ' 3' ' ' ASP . 13.6 t 45.97 -171.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -98.42 131.51 44.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.95 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -72.7 59.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.011 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.437 HG21 ' CE1' ' A' ' 82' ' ' HIS . 46.5 t 67.68 58.86 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.8 p -175.52 112.5 0.27 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.418 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -75.01 164.08 34.04 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.526 1.803 . . . . 0.0 110.99 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.535 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.2 mp -49.08 -65.56 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 5.1 m80 -38.33 -64.79 0.39 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.522 1.139 . . . . 0.0 109.598 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.418 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 1.1 t-105 -44.63 -49.93 10.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 108.04 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.535 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.6 t80 -45.02 -48.85 11.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -63.92 -37.28 94.42 Favored Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.471 1.107 . . . . 0.0 110.997 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.514 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 t80 -69.93 -32.08 70.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 0.748 . . . . 0.0 111.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.38 -46.67 39.95 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.477 1.111 . . . . 0.0 110.982 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -62.09 -52.27 64.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -63.25 -36.3 83.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.514 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -71.76 -23.77 61.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.41 -55.21 7.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 22' ' ' ALA . 30.0 m -56.89 -48.55 81.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.431 ' N ' HG23 ' A' ' 21' ' ' VAL . . . -62.73 -59.76 4.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 43.8 m -45.93 -68.28 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 109.99 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.402 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -53.58 -27.59 34.93 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -72.06 0.69 Allowed Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.442 HG23 ' N ' ' A' ' 27' ' ' ILE . 3.0 tt -65.83 -50.33 71.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.561 0.801 . . . . 0.0 109.284 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.517 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 28.8 mm -57.36 -22.84 18.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.14 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.402 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -76.46 -74.5 0.94 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.535 1.147 . . . . 0.0 110.982 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -50.61 -39.79 51.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 70.6 t -83.46 -25.08 7.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.74 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 86.78 -63.29 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.74 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.73 44.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.107 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.74 38.6 3.02 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.473 1.108 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.834 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER -81.91 -147.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 110.007 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.834 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 177.64 -55.08 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.451 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.92 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.519 1.8 . . . . 0.0 111.016 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.482 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 0.6 OUTLIER -62.72 -54.99 30.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 0.0 110.002 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 1.4 tp -52.61 -53.25 49.4 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 109.27 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.83 -29.08 64.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.482 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -73.41 -30.18 63.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -74.83 -34.05 53.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.469 1.105 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 tt -70.13 -58.01 4.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.2 tp -56.27 -56.98 14.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.432 ' CB ' ' O ' ' A' ' 40' ' ' ALA . 29.7 t80 -63.4 -23.66 67.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.464 1.102 . . . . 0.0 110.977 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.1 -58.67 10.92 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.447 ' HB2' HD12 ' A' ' 50' ' ' LEU . 89.3 p -62.72 -46.91 85.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 0.771 . . . . 0.0 109.998 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.56 -40.05 58.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -70.06 -66.84 0.54 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.536 1.147 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.418 ' O ' ' HB3' ' A' ' 53' ' ' TYR . . . -46.51 -65.71 2.04 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.532 1.145 . . . . 0.0 111.006 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.464 ' O ' ' C ' ' A' ' 53' ' ' TYR . 14.8 mt -55.19 -61.37 2.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 0.739 . . . . 0.0 109.333 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 55' ' ' LEU . . . -39.95 -76.01 0.1 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.534 1.147 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' O ' HG12 ' A' ' 62' ' ' VAL . . . -38.8 -38.02 0.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 0.767 . . . . 0.0 109.311 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.597 ' CG ' ' O ' ' A' ' 53' ' ' TYR . 3.1 t80 -105.09 63.71 0.7 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.594 HE21 HD11 ' A' ' 66' ' ' LEU . 0.5 OUTLIER 159.26 -59.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.286 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.525 ' CA ' HG11 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -166.53 -137.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 57' ' ' GLN . 3.0 m 37.88 41.4 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 0.0 110.021 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 56' ' ' SER . 1.0 OUTLIER 160.52 83.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.792 ' O ' HG22 ' A' ' 62' ' ' VAL . 1.7 m-20 61.75 123.29 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.277 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.442 ' O ' HG23 ' A' ' 62' ' ' VAL . 18.3 Cg_endo -75.05 -34.41 3.8 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -68.39 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 110.306 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -39.52 -64.47 0.47 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.277 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.792 HG22 ' O ' ' A' ' 58' ' ' ASP . 15.3 m -43.56 -47.55 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.4 ' HB2' ' O ' ' A' ' 59' ' ' PRO . 19.8 t90 -48.56 -52.01 24.86 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.553 1.158 . . . . 0.0 107.985 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 82.0 t -54.62 -38.62 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -73.89 -24.76 59.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.594 HD11 HE21 ' A' ' 54' ' ' GLN . 3.8 tp -68.1 -47.42 68.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -72.83 -35.74 67.34 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 0.0 109.303 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 43.6 m -57.49 -69.89 0.15 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.356 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.13 -20.83 62.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -57.78 -59.38 10.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.472 1.108 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 15.8 m -81.1 -45.88 15.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 0.761 . . . . 0.0 110.387 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' O ' HG22 ' A' ' 75' ' ' ILE . 12.4 tp -44.16 -58.29 2.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -81.35 -32.67 32.86 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.48 -37.44 12.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.426 HG22 ' O ' ' A' ' 72' ' ' LEU . 7.0 tt -49.47 -39.33 13.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.485 0.756 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 2.9 ttm -153.81 111.1 3.45 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 111.006 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -73.42 -142.9 0.61 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.533 1.146 . . . . 0.0 111.025 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 11.5 mtt 52.2 100.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 0.776 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.28 169.21 0.3 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 110.308 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.452 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 4.7 p90 -158.12 165.12 35.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 62.64 117.13 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 111.014 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.561 ' CD2' ' CD2' ' A' ' 86' ' ' PHE . 1.9 p-80 -57.87 -168.14 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.6 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 2.7 p 157.86 44.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.951 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.65 -70.78 1.19 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.62 58.29 1.76 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 0.77 . . . . 0.0 109.268 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.561 ' CD2' ' CD2' ' A' ' 82' ' ' HIS . 86.5 m-85 -121.37 178.76 4.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -150.1 66.58 8.0 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 110.936 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -37.79 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.516 1.798 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -177.48 44.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.61 46.57 65.92 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.531 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -57.04 -66.83 0.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 0.761 . . . . 0.0 109.333 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.44 -60.05 2.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.71 -61.1 1.7 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -54.38 -49.22 61.2 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.492 1.12 . . . . 0.0 110.989 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.15 -57.22 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.432 0.725 . . . . 0.0 109.296 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.616 ' O ' HG23 ' A' ' 100' ' ' VAL . 54.3 p -58.49 -31.8 68.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 110.027 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.83 -29.23 66.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.342 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 98' ' ' LEU . 3.1 mm? -73.25 -56.41 5.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.57 -43.61 68.66 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.988 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.616 HG23 ' O ' ' A' ' 96' ' ' SER . 61.3 t -63.39 -53.17 48.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -48.27 -42.26 30.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.119 . . . . 0.0 109.277 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 25.2 mttt -60.12 -60.52 3.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 79.0 t -48.13 -27.73 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -80.7 -85.09 0.68 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.572 1.17 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 29.3 t -137.39 113.36 11.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.47 0.747 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.33 162.21 0.26 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.28 101.49 11.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.981 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -165.08 -48.89 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 111.033 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 60.93 151.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -71.85 151.88 93.14 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.256 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 103.84 1.8 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.528 1.804 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.616 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.546 0.213 . . . . 0.0 111.056 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -108.3 -41.7 4.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.302 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 4' ' ' THR . 2.8 p30 -102.33 173.35 6.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 3' ' ' ASP . 22.0 p -50.76 -177.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 110.423 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 6' ' ' SER . 75.6 m -39.91 132.79 1.73 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 110.028 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 5' ' ' SER . 1.9 t -37.52 -66.82 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 1.164 . . . . 0.0 109.991 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.1 m -143.73 -52.05 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -41.16 122.54 2.04 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD2' ' CD1' ' A' ' 12' ' ' TRP . 18.3 Cg_endo -74.97 172.97 15.32 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.533 1.807 . . . . 0.0 111.051 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -46.56 -54.69 8.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -40.16 -61.22 0.91 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.451 1.094 . . . . 0.0 109.615 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.454 ' CD1' ' HD2' ' A' ' 9' ' ' PRO . 6.8 m95 -47.73 -47.93 29.98 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.985 -1.117 . . . . 0.0 107.985 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.507 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.6 OUTLIER -48.0 -44.36 30.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.994 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -69.85 -32.77 70.22 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.449 1.093 . . . . 0.0 111.021 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.3 t80 -73.78 -29.88 62.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 0.761 . . . . 0.0 110.997 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 20' ' ' LEU . . . -77.45 -43.25 16.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.525 1.141 . . . . 0.0 111.045 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -66.28 -46.9 75.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.767 . . . . 0.0 111.009 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -67.42 -49.59 63.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -63.23 -24.44 67.88 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.423 ' CB ' ' O ' ' A' ' 16' ' ' GLY . 1.9 tp -72.05 -49.25 38.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 64.9 t -57.48 -56.89 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.578 1.174 . . . . 0.0 109.34 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.43 -36.74 81.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -51.74 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.967 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -64.81 -17.2 62.54 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.504 1.128 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.67 -70.88 0.92 Allowed Glycine 0 CA--C 1.53 1.01 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.951 ' O ' HG22 ' A' ' 30' ' ' VAL . 53.2 mt -69.43 -45.98 77.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.256 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 23' ' ' SER . 24.6 mt -59.88 -25.02 31.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 109.313 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -76.5 -68.36 1.54 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.488 1.117 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -49.18 -40.94 35.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 110.991 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.951 HG22 ' O ' ' A' ' 26' ' ' ILE . 4.7 m -84.02 -25.12 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 109.279 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.731 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 5.5 tttt 90.05 -52.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.731 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.04 44.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 32' ' ' ALA . . . -36.95 -38.61 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.467 1.105 . . . . 0.0 110.998 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.852 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.5 OUTLIER 61.98 88.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 0.793 . . . . 0.0 109.994 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.49 -56.77 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 109.278 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.95 -60.71 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.473 1.775 . . . . 0.0 111.017 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.414 ' O ' ' N ' ' A' ' 41' ' ' GLY . 0.5 OUTLIER -62.23 -52.74 62.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 110.021 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.45 HD22 ' HA ' ' A' ' 38' ' ' LEU . 0.2 OUTLIER -48.22 -54.2 14.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.297 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . 0.427 ' HB2' ' O ' ' A' ' 35' ' ' VAL . . . -50.74 -43.49 58.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.401 ' O ' ' HB2' ' A' ' 44' ' ' PHE . . . -69.97 -31.32 68.97 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 37' ' ' SER . . . -64.21 -37.63 94.8 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.467 1.104 . . . . 0.0 110.999 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.55 -57.34 4.49 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 0.763 . . . . 0.0 109.24 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.432 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 1.1 tp -47.89 -70.78 0.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.535 1.147 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.486 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.3 OUTLIER -62.37 -22.38 66.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -52.99 -73.41 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.451 1.095 . . . . 0.0 111.023 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 83.4 p -69.59 -42.9 73.83 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 0.774 . . . . 0.0 109.991 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 47' ' ' LEU . 2.4 tt -49.56 -42.15 43.47 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.486 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -72.56 -72.12 0.26 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.58 ' O ' ' CD2' ' A' ' 53' ' ' TYR . . . -40.57 -67.0 0.76 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 54' ' ' GLN . 3.0 mm? -60.05 -39.66 86.73 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.467 0.745 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.469 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -38.35 -59.55 1.52 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -86.83 -13.56 44.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 0.774 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.606 ' C ' ' CZ ' ' A' ' 65' ' ' PHE . 11.7 m-85 -118.35 49.97 1.22 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.093 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 50' ' ' LEU . 1.7 tt0 179.11 -81.58 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 110.337 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 177.99 98.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.29 41.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.541 1.15 . . . . 0.0 109.976 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 174.05 84.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.776 ' O ' HG23 ' A' ' 62' ' ' VAL . 0.8 OUTLIER 63.97 130.21 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -41.51 0.64 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.545 1.813 . . . . 0.0 110.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 2.2 mtp85 -55.85 -67.04 0.32 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.299 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.93 -53.59 6.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.776 HG23 ' O ' ' A' ' 58' ' ' ASP . 40.8 t -44.84 -48.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.272 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -47.09 77.9 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 48.4 t -55.83 -31.81 30.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.313 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.606 ' CZ ' ' C ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -79.75 -27.15 40.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.518 1.136 . . . . 0.0 110.977 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 -49.53 63.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.433 1.083 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.84 -43.75 65.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -51.59 -70.83 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 110.392 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.518 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 11.1 t -67.58 -23.65 65.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.978 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -52.45 -58.52 10.86 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.512 1.132 . . . . 0.0 110.956 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 8.2 m -81.96 -48.14 11.84 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.468 0.746 . . . . 0.0 110.396 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -46.68 -56.86 5.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.518 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -79.25 -34.25 42.86 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.27 -38.72 12.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.6 mt -61.28 -63.37 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 0.781 . . . . 0.0 109.304 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -78.88 -176.88 5.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -124.84 -179.9 15.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 111.007 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 80' ' ' PHE . 0.0 OUTLIER 40.55 67.2 0.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 50.07 -92.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 78' ' ' MET . 0.3 OUTLIER 67.14 119.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.166 . . . . 0.0 111.043 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -140.02 51.88 1.69 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.958 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.529 ' O ' ' CB ' ' A' ' 83' ' ' SER . 14.3 m-70 65.91 152.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 109.622 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.529 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 0.4 OUTLIER 157.43 44.17 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 110.017 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.522 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -98.74 -35.31 4.93 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.509 1.131 . . . . 0.0 110.985 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.522 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.1 OUTLIER 162.68 63.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 0.761 . . . . 0.0 109.308 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' C ' ' A' ' 87' ' ' MET . 24.7 m-85 -104.55 10.87 34.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 111.012 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 86' ' ' PHE . 2.8 mtt 35.02 62.91 2.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.426 ' HD3' ' N ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -74.99 -162.22 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.515 1.797 . . . . 0.0 111.023 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -50.7 -22.51 2.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 129.49 48.85 0.14 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.129 . . . . 0.0 110.962 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.4 -72.59 0.11 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 0.747 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -72.91 -44.47 57.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -58.26 -63.02 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.306 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -52.03 -48.85 51.31 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.55 -54.68 16.74 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 0.764 . . . . 0.0 109.337 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.441 ' O ' HG23 ' A' ' 100' ' ' VAL . 81.2 p -60.31 -28.33 68.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.979 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 14.4 tp -74.03 -27.17 60.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.44 1.087 . . . . 0.0 109.26 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -75.68 -46.84 29.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.75 -45.66 91.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 111.0 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 96' ' ' SER . 53.5 t -64.46 -48.37 85.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.25 -52.99 57.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.433 ' HB3' ' CB ' ' A' ' 108' ' ' PHE . 0.1 OUTLIER -50.42 -57.5 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.1 t -43.4 -52.16 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.89 -81.37 0.11 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 111.018 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.474 HG22 ' H ' ' A' ' 106' ' ' SER . 0.9 OUTLIER -123.6 175.86 5.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.478 0.752 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.474 ' H ' HG22 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 74.45 162.54 0.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.008 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -47.57 141.52 5.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.975 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.51 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 20.2 p90 -169.99 121.67 0.67 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 58.2 t30 -153.41 90.74 1.44 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 9.0 mtt180 -49.44 151.28 2.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 73.46 4.32 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.782 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 56.5 t60 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.554 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.6 ttp . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.485 0.184 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 175.95 157.66 0.24 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.275 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 57.2 m-20 -132.97 153.85 51.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.311 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.524 HG22 ' H ' ' A' ' 5' ' ' SER . 2.3 m 50.1 -178.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.524 ' H ' HG22 ' A' ' 4' ' ' THR . 2.3 m -109.93 64.34 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.974 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.1 36.51 3.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 110.006 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.585 HG12 ' O ' ' A' ' 7' ' ' VAL . 55.3 t 65.72 40.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 5' ' ' SER . 40.3 t -121.62 125.12 26.9 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.12 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 155.38 42.78 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.548 1.815 . . . . 0.0 110.961 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.497 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 3.5 tt -47.38 -55.48 8.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.243 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -40.6 -60.7 1.07 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.481 1.113 . . . . 0.0 109.605 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.8 m95 -46.12 -48.43 17.24 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 107.981 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.497 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 0.5 OUTLIER -48.77 -46.05 40.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 111.03 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -67.54 -31.25 76.06 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.493 1.121 . . . . 0.0 111.036 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.496 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.1 t80 -71.66 -39.23 70.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.483 0.755 . . . . 0.0 111.013 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.89 -39.79 64.25 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -65.28 -55.49 18.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 0.775 . . . . 0.0 111.001 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.16 -42.01 98.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -66.26 -26.72 67.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.331 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 3.4 mt -70.25 -50.0 44.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.307 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 71.7 t -57.91 -59.97 2.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.15 . . . . 0.0 109.332 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.19 -40.62 74.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.506 ' CB ' ' O ' ' A' ' 19' ' ' ALA . 2.5 t -51.01 -74.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 110.018 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.414 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -55.27 -20.57 22.42 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -69.06 1.4 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.7 mt -66.57 -53.38 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.536 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 2.2 mt -55.36 -23.27 13.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.35 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.414 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -78.08 -79.43 0.75 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -47.7 -39.11 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 33' ' ' GLY . 18.9 t -83.64 -29.53 7.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.738 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 3.0 tttt 88.51 -51.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.738 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 158.51 47.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.525 ' H ' HG12 ' A' ' 30' ' ' VAL . . . -35.87 -58.23 0.98 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.469 1.106 . . . . 0.0 110.975 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.849 ' O ' HG23 ' A' ' 35' ' ' VAL . 0.3 OUTLIER 86.09 81.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 0.764 . . . . 0.0 110.02 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.849 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 171.94 -56.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.334 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.463 ' HD3' ' CB ' ' A' ' 35' ' ' VAL . 18.4 Cg_endo -74.98 -60.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.51 1.795 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.8 -51.59 69.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.453 1.096 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 tp -48.73 -56.94 7.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -49.12 -41.25 35.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 109.267 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.52 -35.95 75.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' O ' ' CA ' ' A' ' 45' ' ' GLY . . . -59.95 -36.7 91.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -72.09 -57.42 4.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 0.783 . . . . 0.0 109.295 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.483 ' O ' ' CB ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -50.76 -65.8 0.5 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.513 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 57.8 m-85 -65.38 -19.93 66.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' CA ' ' O ' ' A' ' 41' ' ' GLY . . . -58.18 -74.59 0.33 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.48 1.112 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.52 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -69.47 -34.7 74.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 0.769 . . . . 0.0 110.007 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.483 ' CB ' ' O ' ' A' ' 43' ' ' LEU . 8.7 tt -57.72 -47.51 82.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.355 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.513 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.81 -69.01 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.286 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -51.12 -71.85 0.59 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.528 1.142 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.648 ' HG ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -47.43 -47.04 27.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 0.763 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.473 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -43.12 -72.88 0.27 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.495 1.122 . . . . 0.0 111.029 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' O ' ' CD2' ' A' ' 65' ' ' PHE . . . -49.73 -27.56 5.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 0.761 . . . . 0.0 109.26 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.49 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.8 OUTLIER -71.46 -43.19 67.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 111.027 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.574 ' HG3' HD23 ' A' ' 66' ' ' LEU . 0.3 OUTLIER 168.18 -30.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.648 HD23 ' HG ' ' A' ' 50' ' ' LEU . 0.3 OUTLIER -39.82 -31.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.44 ' CB ' ' O ' ' A' ' 55' ' ' LEU . 0.5 OUTLIER 163.33 114.48 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 109.996 179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.678 ' O ' HG13 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 169.32 69.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.453 1.096 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.551 ' O ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER 62.96 146.09 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.422 ' O ' ' HB2' ' A' ' 63' ' ' TRP . 18.2 Cg_endo -74.96 -49.38 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.465 1.771 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.512 ' O ' ' CB ' ' A' ' 63' ' ' TRP . 0.0 OUTLIER -60.87 -59.68 5.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.296 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.989 ' O ' HG22 ' A' ' 64' ' ' VAL . 6.8 m-20 -41.34 -74.82 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.325 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.678 HG13 ' O ' ' A' ' 57' ' ' GLN . 28.5 m -39.76 -38.44 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.512 ' CB ' ' O ' ' A' ' 60' ' ' ARG . 0.0 OUTLIER -53.13 -59.18 4.87 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.989 HG22 ' O ' ' A' ' 61' ' ' ASN . 6.1 m -53.64 -26.6 13.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.533 ' CD2' ' O ' ' A' ' 52' ' ' ALA . 0.2 OUTLIER -80.32 -32.07 38.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 110.97 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.574 HD23 ' HG3' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -65.94 -45.3 82.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.277 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -71.53 -47.56 54.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.8 m -50.13 -69.8 0.1 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.422 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.553 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 60.6 p -68.79 -20.41 64.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.976 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.8 11.88 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.498 1.123 . . . . 0.0 110.988 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 45.9 p -81.47 -44.26 17.69 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 0.767 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 5.5 tp -51.53 -58.5 6.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -77.65 -31.33 52.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.95 -44.38 18.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.451 1.094 . . . . 0.0 111.016 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 40.4 mt -58.87 -41.63 83.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 0.739 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.482 ' HG2' ' CE1' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -90.97 -179.36 5.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.573 1.171 . . . . 0.0 111.001 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -80.46 -141.82 2.87 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.448 1.092 . . . . 0.0 110.99 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -49.04 -67.96 0.22 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.55 149.54 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.483 1.115 . . . . 0.0 110.347 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.739 ' CZ ' ' CD1' ' A' ' 81' ' ' TYR . 0.7 OUTLIER -179.0 -36.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 110.967 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.739 ' CD1' ' CZ ' ' A' ' 80' ' ' PHE . 0.7 OUTLIER -49.71 -178.32 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 76.15 67.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.603 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.7 t 166.65 42.34 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.975 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.432 ' O ' ' CB ' ' A' ' 85' ' ' LYS . . . -77.11 -40.74 23.9 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.522 1.139 . . . . 0.0 111.005 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' A' ' 84' ' ' GLY . 0.3 OUTLIER 168.59 56.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 0.743 . . . . 0.0 109.324 179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.466 ' O ' ' CD2' ' A' ' 86' ' ' PHE . 28.4 p90 -177.71 63.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.967 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.59 140.65 3.1 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.989 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.532 ' HG2' HD13 ' A' ' 91' ' ' LEU . 18.3 Cg_endo -75.0 -42.38 0.52 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.519 1.8 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -143.14 34.48 1.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 50.91 26.45 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.499 1.125 . . . . 0.0 111.016 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.6 OUTLIER -60.32 -70.06 0.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 0.742 . . . . 0.0 109.329 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.458 HG23 ' N ' ' A' ' 93' ' ' ALA . 2.1 tp -71.17 -51.17 36.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -53.79 -65.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 0.0 109.369 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -51.0 -48.29 46.29 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.582 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -49.34 -55.78 11.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 0.766 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.98 -27.93 67.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.994 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.03 -27.64 61.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.26 -44.52 36.96 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 109.363 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.755 ' O ' HG23 ' A' ' 103' ' ' VAL . 39.9 mtp -65.4 -40.22 93.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 111.029 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 3.8 t -68.27 -58.33 6.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.259 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.11 -54.81 21.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.334 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 3.6 mmtt -46.93 -60.72 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.467 1.105 . . . . 0.0 109.308 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 99' ' ' MET . 55.8 t -43.7 -49.72 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.447 1.092 . . . . 0.0 109.334 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -53.32 -72.06 0.59 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.513 1.133 . . . . 0.0 111.016 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.514 HG12 ' N ' ' A' ' 106' ' ' SER . 79.6 t -49.86 -95.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 109.293 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.514 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 174.58 92.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.02 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 176.72 145.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.958 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.8 t80 56.6 111.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -114.91 -50.22 2.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -178.33 157.0 1.04 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.03 5.65 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.501 1.79 . . . . 0.0 111.028 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.487 1.117 . . . . 0.0 109.625 -179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.2 ptt? . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.514 0.197 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 50.35 91.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.103 . . . . 0.0 110.31 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 4' ' ' THR . 0.7 OUTLIER 175.75 132.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.409 ' O ' ' O ' ' A' ' 3' ' ' ASP . 52.0 m 60.4 144.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 110.39 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -48.91 169.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.028 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.446 ' O ' ' N ' ' A' ' 8' ' ' VAL . 14.9 p -69.87 69.72 0.32 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.013 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.409 ' O ' ' C ' ' A' ' 8' ' ' VAL . 37.6 t 68.82 -65.03 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.446 ' N ' ' O ' ' A' ' 6' ' ' SER . 26.8 m -39.56 121.98 1.42 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.354 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -176.54 2.93 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.438 1.757 . . . . 0.0 111.01 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.539 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 1.7 mm? -54.1 -54.42 39.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.413 ' C ' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -38.39 -65.63 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 109.634 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 2.2 m95 -46.13 -48.24 17.35 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 107.995 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.539 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.1 t80 -46.74 -47.41 20.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 111.042 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -65.39 -34.63 89.87 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.479 1.112 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 4.8 m-85 -73.2 -29.53 62.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 0.776 . . . . 0.0 111.022 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.526 ' O ' HD13 ' A' ' 20' ' ' LEU . . . -73.1 -49.24 16.94 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.509 1.131 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -64.23 -49.11 73.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 0.774 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -62.37 -42.36 99.34 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -70.28 -22.74 62.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 16' ' ' GLY . 1.3 mp -70.68 -49.54 46.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.02 -52.44 59.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.97 -57.51 12.49 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.551 ' O ' HG23 ' A' ' 27' ' ' ILE . 33.8 m -45.16 -71.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 110.002 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.466 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -49.01 -29.63 8.65 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.95 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.13 -75.35 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 30' ' ' VAL . 8.2 mt -58.91 -55.09 25.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 0.778 . . . . 0.0 109.295 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.551 HG23 ' O ' ' A' ' 23' ' ' SER . 1.0 OUTLIER -54.78 -24.21 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.267 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.53 -80.64 0.66 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.512 1.132 . . . . 0.0 110.989 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -46.49 -39.04 10.1 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.499 0.764 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.482 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 15.4 t -82.73 -31.66 9.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.327 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 2.1 tttp 87.36 -67.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 160.22 139.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.37 -3.02 5.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.503 1.127 . . . . 0.0 111.018 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.42 ' C ' ' HD2' ' A' ' 36' ' ' PRO . 0.8 OUTLIER -62.77 122.41 15.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 0.787 . . . . 0.0 109.983 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.898 HG22 ' HD3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -76.49 -34.18 1.31 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.336 179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.898 ' HD3' HG22 ' A' ' 35' ' ' VAL . 18.2 Cg_endo -75.03 -49.21 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.792 . . . . 0.0 111.017 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.483 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 5.2 m -56.45 -57.87 10.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 109.973 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.27 -50.0 65.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.521 1.138 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -55.28 -32.84 62.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.483 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -70.89 -34.12 71.26 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.38 -36.24 77.71 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.35 -61.29 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 2.3 mp -51.0 -64.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -57.67 -24.66 57.86 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.098 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -58.85 -65.92 3.15 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.462 1.101 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 20.0 p -67.6 -21.11 65.43 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.563 0.802 . . . . 0.0 110.019 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.484 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 0.4 OUTLIER -60.65 -60.51 3.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.657 ' O ' ' HB3' ' A' ' 52' ' ' ALA . . . -64.95 -53.91 38.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.302 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.502 ' O ' ' CB ' ' A' ' 53' ' ' TYR . . . -55.09 -75.11 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.552 1.157 . . . . 0.0 111.003 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 54' ' ' GLN . 0.2 OUTLIER -53.35 -61.4 2.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 0.776 . . . . 0.0 109.317 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.484 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -42.65 -72.64 0.28 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.657 ' HB3' ' O ' ' A' ' 48' ' ' ALA . . . -49.09 -26.95 2.99 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.502 ' CB ' ' O ' ' A' ' 49' ' ' GLY . 1.1 t80 -105.24 27.8 7.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 110.972 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.484 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 tt0 -157.55 -74.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 0.0 110.308 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' HG ' HG11 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 171.13 73.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -160.69 30.8 0.15 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.955 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 62' ' ' VAL . 54.9 tt0 -176.88 97.78 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.263 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 57' ' ' GLN . 51.8 m-20 61.49 130.06 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.782 . . . . 0.0 110.977 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.4 -63.96 0.97 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.299 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -42.92 -56.43 3.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 57' ' ' GLN . 2.2 t -45.62 -47.35 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.304 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -52.81 -48.28 67.06 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 41.3 t -56.07 -35.03 40.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -75.08 -26.34 59.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.128 . . . . 0.0 111.028 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -70.16 -47.03 63.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.337 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.542 ' O ' HG23 ' A' ' 71' ' ' THR . . . -67.64 -44.65 77.45 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.8 m -53.35 -63.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 24.3 p -60.78 -29.24 69.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.099 . . . . 0.0 109.985 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -55.13 -56.95 20.65 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 67' ' ' ALA . 20.7 p -69.01 -49.32 58.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.481 0.753 . . . . 0.0 110.38 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.9 tp -48.87 -41.33 32.91 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 109.309 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -69.38 -46.46 66.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -51.02 -33.89 30.14 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.485 1.116 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 75' ' ' ILE . 32.9 mm -69.27 -62.33 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -160.19 179.31 8.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 111.006 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -104.81 -121.07 4.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.503 1.127 . . . . 0.0 111.011 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 12.1 mtp 63.35 177.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 0.767 . . . . 0.0 110.972 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.22 -69.41 0.14 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.44 ' O ' ' CB ' ' A' ' 81' ' ' TYR . 6.6 t80 -169.57 40.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.44 ' CB ' ' O ' ' A' ' 80' ' ' PHE . 3.4 t80 70.0 -58.26 0.54 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 111.029 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.88 -167.85 1.23 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.562 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 76.3 p -154.96 50.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.993 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 88.39 -145.23 18.89 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.521 1.138 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.81 60.66 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 0.76 . . . . 0.0 109.358 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 68.36 -154.79 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.143 . . . . 0.0 110.967 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 56.94 170.15 0.05 OUTLIER Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 111.023 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 74.81 3.91 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.534 1.807 . . . . 0.0 110.952 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' O ' ' C ' ' A' ' 90' ' ' GLY . . . -165.41 -52.77 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 89' ' ' ALA . . . -37.06 141.83 0.23 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.961 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.609 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.2 OUTLIER -67.71 -46.06 73.29 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.493 0.761 . . . . 0.0 109.31 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.537 HG23 ' N ' ' A' ' 93' ' ' ALA . 2.5 tt -62.42 -56.72 15.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.115 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.537 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -50.54 -71.81 0.06 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.46 1.1 . . . . 0.0 109.26 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.92 -47.28 9.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.528 1.143 . . . . 0.0 110.988 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.609 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.22 -59.07 3.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 0.778 . . . . 0.0 109.293 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.54 -28.01 63.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.0 tt -71.25 -33.25 69.64 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -75.16 -54.31 7.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.827 ' O ' HG23 ' A' ' 103' ' ' VAL . 0.0 OUTLIER -52.53 -43.98 65.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.431 1.082 . . . . 0.0 110.94 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 5.2 t -65.83 -50.75 68.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -49.27 -52.03 29.9 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 103' ' ' VAL . 6.6 mttt -56.28 -58.78 6.53 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 99' ' ' MET . 70.9 t -39.72 -64.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -46.33 -58.77 5.62 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.484 1.115 . . . . 0.0 111.021 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.492 ' O ' ' CB ' ' A' ' 106' ' ' SER . 9.8 p -170.11 168.77 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.776 . . . . 0.0 109.258 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 105' ' ' VAL . 0.2 OUTLIER 84.98 85.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.097 . . . . 0.0 109.992 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 61.3 174.14 0.11 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 111.037 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.408 ' O ' ' CG ' ' A' ' 110' ' ' ARG . 15.4 m-85 -138.36 156.69 47.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 110' ' ' ARG . 0.5 OUTLIER -47.33 -72.4 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 109' ' ' ASN . 3.8 ptm180 36.69 68.48 1.48 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 110.352 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -20.99 16.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.478 1.778 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.643 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.555 0.217 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -101.11 107.48 18.91 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.457 1.098 . . . . 0.0 110.296 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -72.84 139.28 46.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.697 ' O ' HG23 ' A' ' 4' ' ' THR . 10.6 t -65.29 84.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.0 p 49.69 85.78 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.5 1.125 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 p -60.5 -17.85 47.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 24.3 t -138.75 130.95 37.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HA ' ' HD3' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 77.39 135.38 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.1 Cg_endo -75.02 163.17 35.83 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.471 1.774 . . . . 0.0 110.976 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 0.8 OUTLIER -48.12 -55.37 10.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.302 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' LEU . 38.2 m-70 -38.39 -62.68 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.593 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.3 m95 -45.88 -50.22 14.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 108.002 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.502 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 1.8 t80 -45.71 -46.83 15.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.93 -37.52 94.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.559 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 20.9 t80 -69.41 -29.93 67.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.47 -39.18 36.19 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.681 ' O ' HG23 ' A' ' 21' ' ' VAL . 2.0 t80 -66.62 -50.92 61.43 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.45 88.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' A' ' 15' ' ' PHE . . . -59.84 -43.1 94.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.63 -46.08 89.89 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.681 HG23 ' O ' ' A' ' 17' ' ' TYR . 84.0 t -50.7 -66.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.435 1.084 . . . . 0.0 109.273 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -52.43 -48.01 66.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.52 ' CB ' HD12 ' A' ' 27' ' ' ILE . 0.4 OUTLIER -48.31 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.993 -179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.444 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -46.2 -22.3 0.89 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.042 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.92 -77.62 0.18 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.6 mm -73.62 -39.8 54.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.51 0.771 . . . . 0.0 109.269 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.52 HD12 ' CB ' ' A' ' 23' ' ' SER . 59.9 mt -61.15 -31.76 50.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.333 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -73.91 -58.4 4.44 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.516 1.135 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -47.32 -48.56 25.17 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.421 0.718 . . . . 0.0 110.971 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.53 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 28.0 t -84.23 -17.85 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.716 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 90.27 -62.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.716 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.07 45.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.78 45.54 1.3 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.761 ' O ' HG23 ' A' ' 35' ' ' VAL . 5.2 t -91.9 -143.26 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.522 0.777 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.761 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 169.0 -53.26 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.106 . . . . 0.0 109.283 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.488 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.5 Cg_endo -75.0 -50.72 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.491 1.785 . . . . 0.0 110.987 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.51 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 33.6 t -59.95 -55.54 32.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.39 -50.81 61.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.62 -34.27 61.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.299 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -67.95 -36.33 79.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -67.97 -34.28 81.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.494 1.121 . . . . 0.0 111.02 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.97 -59.47 3.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 0.773 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.55 -66.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 109.314 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.685 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 34.6 m-85 -59.11 -18.9 39.76 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.108 . . . . 0.0 111.005 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -63.92 -63.08 4.66 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.14 . . . . 0.0 110.984 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.19 -38.78 87.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.554 0.796 . . . . 0.0 110.016 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.696 ' O ' HD23 ' A' ' 47' ' ' LEU . 3.8 tt -71.01 -22.17 62.19 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.266 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -79.38 -51.0 9.97 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.402 ' O ' ' HB2' ' A' ' 53' ' ' TYR . . . -64.16 -49.73 64.78 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.525 1.14 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.528 ' O ' ' CB ' ' A' ' 53' ' ' TYR . 0.2 OUTLIER -71.26 -53.49 14.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 0.763 . . . . 0.0 109.3 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.432 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -54.24 -44.11 75.04 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 110.989 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.563 ' HB3' ' O ' ' A' ' 48' ' ' ALA . . . -75.32 -23.37 57.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.759 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.528 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.6 OUTLIER -49.08 -46.65 44.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 111.024 179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.518 ' OE1' ' CB ' ' A' ' 61' ' ' ASN . 7.4 mm-40 -158.93 34.03 0.21 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.319 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 51' ' ' GLY . 0.9 OUTLIER 67.29 119.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.49 1.83 24.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 110.008 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.82 -57.47 2.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 110.24 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.719 ' O ' HG23 ' A' ' 62' ' ' VAL . 1.2 t70 -66.21 122.5 81.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -32.81 5.04 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.473 1.775 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.39 -69.29 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.518 ' CB ' ' OE1' ' A' ' 54' ' ' GLN . 7.4 m-80 -43.26 -51.03 6.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.719 HG23 ' O ' ' A' ' 58' ' ' ASP . 52.6 t -45.06 -50.8 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 109.27 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.0 -46.36 71.73 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 107.999 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.429 ' O ' ' CB ' ' A' ' 68' ' ' THR . 30.3 t -58.1 -32.31 43.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.558 ' O ' ' CD1' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -75.28 -27.48 59.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.2 tp -70.38 -55.4 9.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -66.12 -34.71 78.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.573 1.171 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.429 ' CB ' ' O ' ' A' ' 64' ' ' VAL . 1.8 m -59.8 -67.77 0.35 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 110.405 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 82.7 p -53.7 -34.83 60.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -56.81 -61.79 7.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.442 1.089 . . . . 0.0 111.038 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.444 ' O ' ' N ' ' A' ' 74' ' ' GLY . 4.5 m -62.67 -48.21 80.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 0.766 . . . . 0.0 110.369 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.43 HD11 ' O ' ' A' ' 77' ' ' GLY . 3.9 tp -42.1 -52.54 4.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.87 -31.63 68.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 71' ' ' THR . . . -57.29 -60.77 8.41 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.472 1.107 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.415 ' O ' ' CB ' ' A' ' 76' ' ' MET . 5.0 mp -106.0 -65.03 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.537 0.787 . . . . 0.0 109.361 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.415 ' CB ' ' O ' ' A' ' 75' ' ' ILE . 2.8 mtt 166.63 -162.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.14 . . . . 0.0 110.979 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . 0.43 ' O ' HD11 ' A' ' 72' ' ' LEU . . . 138.14 141.88 4.24 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 1.1 mtt -70.67 100.39 1.85 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 0.8 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.436 ' O ' ' N ' ' A' ' 81' ' ' TYR . 0.0 OUTLIER -165.43 170.18 14.79 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.487 1.117 . . . . 0.0 110.319 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -50.53 91.31 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.554 1.159 . . . . 0.0 110.955 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.436 ' N ' ' O ' ' A' ' 79' ' ' ARG . 1.3 t80 179.84 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.41 ' O ' ' O ' ' A' ' 81' ' ' TYR . 23.6 m-70 -53.02 -173.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.627 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 24.5 p 174.14 57.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 110.014 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -139.24 63.37 0.55 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.26 -136.24 0.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 12.7 p90 175.95 -33.89 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.439 ' CB ' ' CD ' ' A' ' 88' ' ' PRO . 0.7 OUTLIER -47.29 175.9 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.127 . . . . 0.0 110.984 -179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.439 ' CD ' ' CB ' ' A' ' 87' ' ' MET . 18.2 Cg_endo -74.96 62.7 5.88 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.477 1.778 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -158.9 -45.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.294 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -50.94 118.69 6.74 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.451 1.094 . . . . 0.0 111.032 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 5.1 mp -60.52 -33.25 72.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 0.74 . . . . 0.0 109.305 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 11.7 mm -62.36 -58.89 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -54.45 -66.85 0.33 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.135 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -44.81 -48.19 9.2 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.28 -63.83 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 3.6 t -54.01 -27.75 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.012 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -69.87 -39.34 76.4 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 109.251 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.87 -49.56 61.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 21.9 mtt -52.7 -54.43 33.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 111.021 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 97' ' ' LEU . 10.6 p -59.92 -42.1 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 109.293 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.66 -41.36 81.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.293 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.32 -48.68 78.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.295 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 66.3 t -54.35 -38.0 38.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.51 1.131 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -68.88 -61.93 4.33 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.557 HG13 ' O ' ' A' ' 105' ' ' VAL . 12.7 p -173.91 100.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.756 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 166.48 86.11 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 109.964 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.15 174.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.115 . . . . 0.0 111.001 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.505 ' CG ' ' O ' ' A' ' 108' ' ' PHE . 7.1 p90 -178.22 105.9 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 17.1 t30 -169.67 96.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.125 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 23.7 mtp180 -98.03 162.1 23.3 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 100.74 1.39 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.516 1.798 . . . . 0.0 111.028 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.578 -179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mtt . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.497 0.189 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.12 164.98 28.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 4' ' ' THR . 7.6 p-10 -151.51 147.51 26.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' ASP . 38.5 m 53.56 169.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.779 ' O ' HG22 ' A' ' 8' ' ' VAL . 49.2 m -100.59 49.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.997 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.1 t 66.64 -73.74 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.991 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.419 ' N ' ' O ' ' A' ' 5' ' ' SER . 12.4 p -168.39 42.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.779 HG22 ' O ' ' A' ' 5' ' ' SER . 17.2 m -136.14 132.29 19.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 8' ' ' VAL . 18.2 Cg_endo -75.04 157.5 42.55 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.429 1.752 . . . . 0.0 111.008 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.468 ' O ' ' CB ' ' A' ' 13' ' ' PHE . 4.9 tt -46.43 -54.43 9.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 109.314 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.2 t-160 -40.89 -59.9 1.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.552 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.9 m95 -46.12 -48.96 17.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 108.013 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' CB ' ' O ' ' A' ' 10' ' ' LEU . 2.5 t80 -49.37 -45.57 46.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 111.007 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -64.62 -33.18 86.55 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -69.15 -37.39 78.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.482 0.754 . . . . 0.0 110.971 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.87 -41.49 72.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.537 1.148 . . . . 0.0 111.024 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -63.48 -53.3 54.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 0.767 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -61.67 -35.51 78.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.56 -27.16 62.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 2.0 tp -69.1 -58.9 3.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 109.348 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.5 HG13 ' N ' ' A' ' 22' ' ' ALA . 7.1 p -54.02 -53.35 28.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.3 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.5 ' N ' HG13 ' A' ' 21' ' ' VAL . . . -55.99 -48.28 76.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.6 m -50.72 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.583 1.177 . . . . 0.0 109.986 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.419 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -47.05 -23.43 1.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.37 -75.17 0.31 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.59 ' O ' HG22 ' A' ' 30' ' ' VAL . 6.7 pt -73.67 -41.46 55.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.536 0.786 . . . . 0.0 109.274 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.485 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 34.1 mm -60.16 -29.17 43.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.419 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -77.17 -64.6 2.07 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.483 1.115 . . . . 0.0 111.015 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -44.11 -49.55 8.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 0.775 . . . . 0.0 111.006 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 26' ' ' ILE . 2.2 m -83.64 -23.06 8.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.73 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 0.2 OUTLIER 87.14 -59.49 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.265 179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.73 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 159.17 140.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 132.87 -3.82 4.97 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.482 1.113 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' SER . 0.5 OUTLIER -53.4 131.96 38.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.763 . . . . 0.0 110.004 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.655 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 2.2 t -79.47 -43.41 1.62 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.655 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.3 Cg_endo -74.97 -45.78 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.468 ' CB ' ' HB3' ' A' ' 34' ' ' SER . 13.0 m -51.67 -57.64 8.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 110.009 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.38 -49.07 73.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 109.281 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -54.59 -33.49 60.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.282 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -71.74 -33.37 68.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.085 . . . . 0.0 109.262 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -68.2 -34.7 81.4 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.29 -59.2 3.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 0.782 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -49.47 -61.43 2.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.438 ' O ' ' CB ' ' A' ' 48' ' ' ALA . 0.1 OUTLIER -66.86 -17.62 64.98 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.514 1.134 . . . . 0.0 110.942 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.55 -67.73 1.98 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 50' ' ' LEU . 23.4 m -69.49 -33.2 72.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 0.796 . . . . 0.0 109.989 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.666 ' O ' HD13 ' A' ' 47' ' ' LEU . 1.3 tm? -62.35 -42.99 99.84 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.438 ' CB ' ' O ' ' A' ' 44' ' ' PHE . . . -67.92 -64.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . -57.43 -70.71 0.9 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.533 ' CB ' ' O ' ' A' ' 46' ' ' SER . 7.1 tp -46.35 -49.75 17.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.556 0.798 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.536 ' O ' ' N ' ' A' ' 55' ' ' LEU . . . -50.33 -64.2 3.79 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.502 1.127 . . . . 0.0 110.982 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -55.6 -18.27 7.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 109.303 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.425 ' CB ' ' O ' ' A' ' 50' ' ' LEU . 0.1 OUTLIER -83.02 -69.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.912 ' HA ' HG23 ' A' ' 62' ' ' VAL . 0.7 OUTLIER -90.25 23.32 2.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.24 -179.942 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 ' C ' ' O ' ' A' ' 54' ' ' GLN . 0.1 OUTLIER 27.98 85.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 t -76.18 54.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.145 . . . . 0.0 109.994 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -156.34 -46.55 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.544 1.152 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.748 ' O ' HG12 ' A' ' 62' ' ' VAL . 0.8 OUTLIER -126.38 136.83 29.17 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.593 ' O ' HG13 ' A' ' 62' ' ' VAL . 18.4 Cg_endo -74.98 -29.5 8.19 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.974 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 61' ' ' ASN . 6.8 mtt180 -63.45 -69.89 0.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.492 ' CB ' ' HG ' ' A' ' 55' ' ' LEU . 76.5 m-20 -39.6 -66.37 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.133 . . . . 0.0 109.267 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.912 HG23 ' HA ' ' A' ' 54' ' ' GLN . 2.4 p -40.24 -47.65 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.328 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -48.19 -55.86 9.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 108.044 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.6 t -52.93 -37.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.3 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -71.06 -31.55 67.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.94 -46.68 83.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.29 -39.11 82.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.2 m -58.92 -77.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 110.372 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -58.89 -54.55 37.09 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.459 1.1 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 38.3 m -78.62 -41.36 31.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.368 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 2.1 mp -54.07 -59.61 4.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.113 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -74.49 -29.76 61.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.275 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -47.45 -57.64 7.2 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.535 1.147 . . . . 0.0 111.035 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 18.4 pt -51.97 -32.48 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 0.776 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 1.1 mmt -98.88 -173.07 2.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.469 1.106 . . . . 0.0 110.995 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -118.44 176.72 16.22 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.507 1.129 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.92 -178.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 0.738 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 9.7 mtm180 -101.82 74.53 1.49 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 110.279 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -175.58 165.38 3.15 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.441 1.088 . . . . 0.0 110.983 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -159.62 117.28 2.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 62.81 -176.98 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 109.644 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.406 ' HB2' HD13 ' A' ' 92' ' ' ILE . 13.5 p -140.21 38.9 1.92 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.96 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 96.01 -53.98 1.62 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.543 1.152 . . . . 0.0 111.069 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.47 -40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.297 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 178.34 -57.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.507 ' HG2' ' HB2' ' A' ' 93' ' ' ALA . 0.7 OUTLIER -175.38 62.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.135 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.438 ' HD3' ' N ' ' A' ' 87' ' ' MET . 18.4 Cg_endo -75.01 -87.98 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.782 . . . . 0.0 111.006 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -160.54 48.64 0.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.541 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -106.56 -143.29 11.23 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.512 1.133 . . . . 0.0 110.965 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.627 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -71.94 -36.86 70.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 0.788 . . . . 0.0 109.292 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.406 HD13 ' HB2' ' A' ' 83' ' ' SER . 2.7 mp -62.58 -69.33 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.507 ' HB2' ' HG2' ' A' ' 87' ' ' MET . . . -52.65 -60.66 2.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.12 -50.49 9.25 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.504 1.127 . . . . 0.0 110.968 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.627 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -48.42 -63.15 1.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 0.79 . . . . 0.0 109.306 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.47 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.1 OUTLIER -52.23 -27.78 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.02 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.28 -40.43 64.59 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.838 HD23 ' NZ ' ' A' ' 102' ' ' LYS . 0.2 OUTLIER -69.21 -37.91 78.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -53.13 58.83 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 96' ' ' SER . 33.3 m -61.99 -46.1 97.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.306 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.4 ' N ' HG23 ' A' ' 100' ' ' VAL . . . -60.84 -31.9 71.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.838 ' NZ ' HD23 ' A' ' 98' ' ' LEU . 11.4 mttt -67.35 -45.47 76.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.2 t -61.44 -36.92 76.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -77.1 -78.75 0.73 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.539 1.15 . . . . 0.0 111.039 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.532 HG12 ' N ' ' A' ' 106' ' ' SER . 95.9 t -86.83 166.76 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.754 . . . . 0.0 109.299 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . 0.532 ' N ' HG12 ' A' ' 105' ' ' VAL . 0.3 OUTLIER 63.4 166.92 0.14 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.016 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . 0.426 ' HG2' ' N ' ' A' ' 108' ' ' PHE . 0.0 OUTLIER -95.66 -25.44 16.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.426 ' N ' ' HG2' ' A' ' 107' ' ' MET . 33.8 t80 55.89 170.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.566 1.167 . . . . 0.0 111.018 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.421 ' N ' ' CG ' ' A' ' 108' ' ' PHE . 1.1 t-20 -173.19 99.64 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.106 . . . . 0.0 109.272 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.425 ' CB ' ' CD ' ' A' ' 111' ' ' PRO . 0.0 OUTLIER -65.02 174.1 1.46 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 110.27 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . 0.425 ' CD ' ' CB ' ' A' ' 110' ' ' ARG . 18.2 Cg_endo -75.0 143.52 29.15 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.506 1.793 . . . . 0.0 110.953 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 4.2 t60 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.643 179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.476 0.179 . . . . 0.0 111.003 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.81 -46.86 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.273 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.418 ' O ' HG22 ' A' ' 4' ' ' THR . 0.5 OUTLIER -169.95 165.45 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 109.32 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.62 HG23 ' N ' ' A' ' 5' ' ' SER . 0.6 OUTLIER 52.24 -175.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.62 ' N ' HG23 ' A' ' 4' ' ' THR . 11.4 m -38.89 121.56 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 110.012 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.883 ' O ' HG12 ' A' ' 8' ' ' VAL . 13.7 t -70.01 59.08 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.05 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.759 HG22 ' O ' ' A' ' 6' ' ' SER . 5.9 m 50.86 23.77 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.883 HG12 ' O ' ' A' ' 6' ' ' SER . 2.4 p 177.66 102.53 0.13 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.317 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' A' ' 12' ' ' TRP . 18.1 Cg_endo -75.05 172.73 15.79 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.539 1.81 . . . . 0.0 110.973 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.512 ' O ' ' C ' ' A' ' 11' ' ' HIS . 0.1 OUTLIER -53.52 -80.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.435 1.085 . . . . 0.0 109.268 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . 0.512 ' C ' ' O ' ' A' ' 10' ' ' LEU . 64.9 m80 -30.32 -65.33 0.11 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.555 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.494 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 0.1 OUTLIER -41.41 -59.66 1.51 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 107.982 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.455 ' N ' ' O ' ' A' ' 10' ' ' LEU . 3.8 t80 -39.26 -49.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.996 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -57.89 -47.29 89.82 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.544 1.153 . . . . 0.0 111.037 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.534 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 1.6 m-85 -67.9 -29.12 68.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.975 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.52 -49.85 28.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.532 1.145 . . . . 0.0 110.994 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -60.77 -46.45 90.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.479 0.753 . . . . 0.0 110.992 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -68.72 -40.01 80.14 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.534 ' CB ' ' O ' ' A' ' 15' ' ' PHE . . . -64.36 -31.91 73.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.69 -52.07 28.94 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 t -50.23 -59.13 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.289 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -58.97 -51.87 68.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.493 ' OG ' HD12 ' A' ' 27' ' ' ILE . 10.1 t -49.57 -85.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.01 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.434 ' O ' ' HA3' ' A' ' 28' ' ' GLY . . . -45.43 -26.41 1.58 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.529 1.143 . . . . 0.0 110.999 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.51 -79.57 0.1 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.1 mm -69.61 -46.5 75.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 0.0 109.316 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.555 ' O ' ' CA ' ' A' ' 31' ' ' LYS . 40.3 mt -55.17 -26.98 19.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.434 ' HA3' ' O ' ' A' ' 24' ' ' GLY . . . -79.17 -75.28 1.02 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.142 . . . . 0.0 111.019 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -46.33 -42.54 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 0.768 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.507 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 36.0 t -84.02 -27.3 7.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.335 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.741 ' O ' ' HB2' ' A' ' 32' ' ' ALA . 18.1 tttt 88.01 -61.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.741 ' HB2' ' O ' ' A' ' 31' ' ' LYS . . . 157.15 62.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.165 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -147.48 44.95 0.78 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.472 1.108 . . . . 0.0 111.035 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.703 ' O ' HG23 ' A' ' 35' ' ' VAL . 88.7 p -91.29 -123.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 0.754 . . . . 0.0 109.979 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 34' ' ' SER . 0.9 OUTLIER 164.09 -51.93 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 109.279 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.511 ' CD ' ' N ' ' A' ' 35' ' ' VAL . 18.1 Cg_endo -75.06 -46.67 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.513 1.797 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.498 ' O ' ' HB3' ' A' ' 40' ' ' ALA . 36.8 t -59.43 -56.44 21.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.15 . . . . 0.0 110.009 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -53.61 -50.11 66.38 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ALA . . . . . . . . . . . . . . . -57.68 -29.7 64.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' A' ' 37' ' ' SER . . . -72.86 -32.37 65.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 1.087 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -72.48 -32.84 61.68 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -59.57 2.74 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -61.44 2.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.531 ' O ' ' HB2' ' A' ' 48' ' ' ALA . 4.5 t80 -64.01 -21.13 66.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -61.06 -60.65 8.02 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.51 -46.49 76.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 0.757 . . . . 0.0 110.0 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.443 ' O ' ' HA3' ' A' ' 51' ' ' GLY . 6.2 tp -56.47 -31.46 64.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . 0.531 ' HB2' ' O ' ' A' ' 44' ' ' PHE . . . -70.46 -59.95 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . 0.568 ' O ' ' CD1' ' A' ' 53' ' ' TYR . . . -60.6 -60.91 7.68 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.479 1.112 . . . . 0.0 111.023 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.43 ' HA ' ' HB2' ' A' ' 54' ' ' GLN . 2.6 mp -57.64 -61.9 2.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 0.767 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.443 ' HA3' ' O ' ' A' ' 47' ' ' LEU . . . -46.37 -47.33 16.69 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.525 1.141 . . . . 0.0 110.988 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 48' ' ' ALA . . . -54.71 -42.79 71.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.568 ' CD1' ' O ' ' A' ' 49' ' ' GLY . 13.4 p90 -150.29 85.57 1.4 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.432 1.083 . . . . 0.0 110.996 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.495 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 1.0 OUTLIER 179.18 -71.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.72 -77.51 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.283 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -45.33 168.08 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 73.31 -177.07 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -40.49 131.72 1.71 Allowed Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.499 1.125 . . . . 0.0 109.318 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.538 1.81 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.89 -69.15 0.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 110.298 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 6.8 m-80 -42.89 -57.85 2.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.495 ' CG1' ' O ' ' A' ' 54' ' ' GLN . 2.1 t -44.69 -46.73 2.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -53.56 -49.35 67.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 107.99 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.5 t -55.72 -32.62 31.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.105 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -78.13 -27.3 48.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.8 tp -68.11 -47.5 67.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.99 -43.64 67.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.526 1.141 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 3.8 m -51.87 -69.71 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.447 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.537 ' O ' ' HB3' ' A' ' 73' ' ' ALA . 3.7 t -67.72 -21.94 65.28 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.004 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . -54.69 -57.17 18.91 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.119 . . . . 0.0 110.983 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 6.0 m -83.12 -44.84 14.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 110.4 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.8 tp -49.92 -51.76 38.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB3' ' O ' ' A' ' 69' ' ' SER . . . -84.53 -29.58 25.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -46.9 -52.04 12.36 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.544 1.152 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.44 HG23 ' N ' ' A' ' 76' ' ' MET . 1.6 tp -58.26 -49.99 79.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 0.769 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.44 ' N ' HG23 ' A' ' 75' ' ' ILE . 19.8 mmt -55.81 -73.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 141.43 -154.59 24.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.433 1.083 . . . . 0.0 110.966 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.49 147.74 47.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 0.762 . . . . 0.0 111.031 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER 61.03 125.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.113 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CZ ' HD13 ' A' ' 91' ' ' LEU . 50.3 p90 -45.95 162.16 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 10.9 t80 -107.84 -42.68 4.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.553 1.158 . . . . 0.0 111.0 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' A' ' 83' ' ' SER . 0.0 OUTLIER -41.51 105.85 0.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 109.569 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' A' ' 82' ' ' HIS . 3.3 p 165.12 67.59 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.49 -75.38 0.5 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.4 mmtt -138.7 43.55 2.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.552 0.795 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' CD1' ' C ' ' A' ' 86' ' ' PHE . 3.3 p90 -178.64 143.59 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 177.16 151.49 0.38 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.723 ' O ' ' HB2' ' A' ' 89' ' ' ALA . 18.4 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.486 1.782 . . . . 0.0 110.999 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.723 ' HB2' ' O ' ' A' ' 88' ' ' PRO . . . 160.98 -91.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.113 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 160.65 80.09 0.03 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.526 ' O ' ' HB2' ' A' ' 95' ' ' ALA . 1.0 OUTLIER -71.83 -61.43 1.78 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 0.769 . . . . 0.0 109.313 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.469 HG23 ' N ' ' A' ' 93' ' ' ALA . 0.9 OUTLIER -63.17 -52.15 62.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' N ' HG23 ' A' ' 92' ' ' ILE . . . -60.67 -66.61 0.5 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . -45.05 -51.45 8.59 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.526 ' HB2' ' O ' ' A' ' 91' ' ' LEU . . . -47.41 -56.53 6.75 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 0.771 . . . . 0.0 109.31 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . 0.476 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.3 OUTLIER -53.74 -35.03 60.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 110.039 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.502 ' O ' ' CB ' ' A' ' 101' ' ' ALA . 1.4 tt -72.4 -31.94 65.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 1.114 . . . . 0.0 109.256 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.6 mt -74.41 -30.92 62.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.572 ' O ' HG23 ' A' ' 103' ' ' VAL . 12.4 mtt -71.2 -48.47 51.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 110.991 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.476 HG12 ' O ' ' A' ' 96' ' ' SER . 9.9 p -73.35 -32.2 36.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.624 ' O ' HG23 ' A' ' 105' ' ' VAL . . . -70.39 -44.77 67.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 13.2 mtmt -61.5 -49.74 75.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.455 1.097 . . . . 0.0 109.28 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 99' ' ' MET . 56.1 t -54.41 -47.04 70.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -66.43 -33.18 84.02 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 111.025 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 101' ' ' ALA . 42.9 t -96.98 46.72 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.537 0.786 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 3.8 m 58.09 -95.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.962 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' MET . . . . . . . . . . . . . 5.5 mmt 40.01 83.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 110.956 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -75.35 124.44 27.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 111.011 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' ARG . 1.5 t-20 -77.27 -69.37 0.54 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' ASN . 0.0 OUTLIER 35.76 71.67 0.85 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.84 14.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.496 1.788 . . . . 0.0 111.002 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.1 p80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.584 -179.977 . . . . . . . . 0 0 . 1 stop_ save_